Tag: M.W=100-150

Pedersen, Ansgar Heim; Undheim, Kjell published the artcile< N-Quaternary compounds. Part LV. Synthetic studies of the 2,3-dihydrothiazolo[3,2-c]pyrimidinium-8-olate system>, Related Products of 15837-41-9, the main research area is thiazolopyrimidiniumolate; oxathiinopyrimidine; pyrimidine thiazolo oxathiino.

5-Hydroxy-4-pyrimidinethiones form the novel 2,3-dihydrothiazolo[3,2-c]pyrimidinium-8-olate system (I; R = H, Me, Ph) on reaction with vicinal dibromides or with 2-bromopropenoic acid. Steric or electronic effects may change the reaction path towards the formation of a 2,3-dihydro[1,4]oxathiino[5,6-d]-pyrimidine (II) or may lead to S-vinylation.

Acta Chemica Scandinavica, Series B: Organic Chemistry and Biochemistry published new progress about 15837-41-9. 15837-41-9 belongs to class pyrimidines, and the molecular formula is C4H4N2O2, Related Products of 15837-41-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Ribeiro da Silva, Manuel A. V.; Amaral, Luisa M. P. F.; Gomes, Jose R. B. published the artcile< Comparative Computational and Experimental Study on the Thermochemistry of the Chloropyrimidines>, Related Products of 6554-61-6, the main research area is comparative computation experiment thermochem chloropyrimidine; enthalpy formation vaporization sublimation chloropyrimidine calorimetry computation.

The standard (p0 = 0.1 MPa) molar enthalpies of formation, ΔfHM0, for liquid 2,4,6-trichloropyrimidine and for crystalline 2-chloropyrimidine, 2,4- and 4,6-dichloropyrimidine, and 2,4,5,6-tetrachloropyrimidine compounds were determined at T = 298.15 K by rotating-bomb combustion calorimetry. The standard molar enthalpies of vaporization or sublimation of these compounds at T = 298.15 K were determined by Calvet microcalorimetry. The exptl. standard molar enthalpies of formation of those compounds, in the gaseous state, at T = 298.15 K, were thus obtained by combining these two sets of results. The latter values have been employed in the calibration of the computational procedure, which has been used to estimate the gas-phase enthalpies of formation for the other chloropyrimidines that were not possible to obtain in a pure form for the exptl. study. The exchange-correlation functional based on the local spin d. approximation (LSDA) seems to be a cheap choice for the estimation of enthalpies of formation for heterocycles containing nitrogen atoms; the well-known B3LYP hybrid method yields larger differences, with respect to the exptl. values, for 2,4,6-tri- and 2,4,5,6-tetrachloropyrimidines.

Journal of Physical Chemistry B published new progress about Combustion enthalpy. 6554-61-6 belongs to class pyrimidines, and the molecular formula is C4H2Cl2N2, Related Products of 6554-61-6.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidine is a nitrogenous base similar to benzene (a six-membered ring) and includes cytosine, thymine, and uracil as bases used for DNA or RNA. 554-01-8, formula is C5H7N3O, Name is 4-Amino-5-methylpyrimidin-2(1H)-one. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Quality Control of 554-01-8.

Grytsyk, Natalia;Richert, Ludovic;Didier, Pascal;Dziuba, Dmytro;Ciaco, Stefano;Mazzoleni, Viola;Lequeu, Thiebault;Mori, Mattia;Tor, Yitzhak;Martinez-Fernandez, Lara;Improta, Roberto;Mely, Yves research published 《 Thienoguanosine, a unique non-perturbing reporter for investigating rotational dynamics of DNA duplexes and their complexes with proteins》, the research content is summarized as follows. Time-resolved fluorescence anisotropy (TRFA) provides key information on the dynamics of biomols. and their interaction with ligands. However, since natural nucleosides are almost non-fluorescent, its application to DNA duplexes (dsDNA) requires fluorescent labels, which can alter dsDNA stability, hinder protein binding, and complicate interpretation of TRFA experiments due to their local motion. As shown here, thienoguanosine (thG), a fluorescent analog of guanosine, overcomes all these limitations. We recorded the TRFA decays of thG-labeled dsDNA of different lengths. thG behaved as a rigid, non-perturbing reporter, since no fast correlation time was recorded for any tested dsDNA. Due to its perfect stacking, only two correlation times, instead of the typical three, describe thG-labeled dsDNA rotational dynamics. Thanks to these features, we provided a complete description of the tumbling of the different dsDNA and their complexes with the Set and Ring Associated (SRA) domain of UHRF1, a key epigenetic regulator, obtaining values in excellent agreement with theor. predictions. Moreover, thG was also found sensitive to SRA-induced base flipping of neighboring nucleobases. In the DNA label toolbox, thG thus stands out as a unique reporter for investigating the rotational dynamics of dsDNA and protein/dsDNA complexes.

Quality Control of 554-01-8, 5-Methylcytosine is a methylated form of the nucleobase cytosine occurring predominantly in cytosine-phosphate-guanine (CpG) islands that are produced by DNA methyltransferases and may regulate gene expression. Like cytosine, the DNA sequence containing 5-methylcytosine (5-mC) is able to be replicated without error and 5-mC can pair with guanine in double stranded DNA. However, DNA sequences containing a high local concentration of 5-mC may be less transcriptionally active than areas with higher ratios of unmodified cytosine.
5-Methylcytosine belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 5-Methylcytosine exists as a solid, slightly soluble (in water), and a very weakly acidic compound (based on its pKa). Within the cell, 5-methylcytosine is primarily located in the cytoplasm. 5-Methylcytosine can be biosynthesized from cytosine. Outside of the human body, 5-methylcytosine can be found in tea. This makes 5-methylcytosine a potential biomarker for the consumption of this food product.
5-methylcytosine is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a member of pyrimidines and a methylcytosine. It derives from a cytosine.
5-Methylcytosine is a nucleic acid that is found in the DNA and RNA of the cell. It is an important component of methylation, which is the process by which a methyl group is added to a molecule. This process can lead to cellular transformation, a process that can cause cancer. 5-Methylcytosine has also been shown as a molecular pathogenesis factor in infectious diseases such as HIV and herpes simplex virus type 1. The presence of 5-methylcytosine in nuclear DNA has been detected by analytical techniques such as gas chromatography/mass spectrometry (GC/MS). There are many analytical methods, including GC/MS, that can be used to detect 5-methylcytosine in cellular nuclei., 554-01-8.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidine is a nitrogenous base similar to benzene (a six-membered ring) and includes cytosine, thymine, and uracil as bases used for DNA or RNA. 1722-12-9, formula is C4H3ClN2, Name is 2-Chloropyrimidine. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. COA of Formula: C4H3ClN2.

Guo, Dongdong;Li, Bin;Gao, Wenmei;Zhang, Wuxia;Wang, Yongqiang;Zhao, Jinzhong research published 《 Study on Palladium(II)-Catalyzed Mono-1-alkenylation of 9H-Carbazoles》, the research content is summarized as follows. A general and efficient method is reported for the direct mono-1-alkenylation of 9H-carbazole mols. with divalent palladium as a catalyst and an N-(2-pyridyl)sulfanyl directing group. This method also provides an efficient synthetic route for the synthesis of cross-dialkenylated carbazoles.

COA of Formula: C4H3ClN2, 2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.
2-Chloropyrimidine is a molecule that can be synthesized by the oxidation of pyrimidine with hydrogen peroxide and hydrochloric acid. The reaction proceeds through an electrochemical process in which the oxidation catalyst is a platinum electrode. This reaction is catalyzed by the nucleophilic attack of malonic acid on the chloropyrimidine at the methylene group. This efficient method for making 2-chloropyrimidine has been applied to synthesize aryl halides, including phenyl chloropyrimidine and pyridyl chloropyrimidine, from their corresponding chloride and bromide precursors. The fluorescence properties of 2-chloropyrimidine have been studied in coordination chemistry, where it forms complexes with metal ions such as Mn2+. In this study, it was found that adsorption mechanisms are dependent on molecular size, charge density, kinetic energy, and adsorbent surface area., 1722-12-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The systematic study of pyrimidines began in 1884 with Pinner, who synthesized derivatives by condensing ethyl acetoacetate with amidines. Pinner first proposed the name “pyrimidin” in 1885. 1722-12-9, formula is C4H3ClN2, Name is 2-Chloropyrimidine. The parent compound was first prepared by Gabriel and Colman in 1900, by conversion of barbituric acid to 2,4,6-trichloropyrimidine followed by reduction using zinc dust in hot water. SDS of cas: 1722-12-9.

Guo, Kang;Gu, Chen;Li, Yun;Xie, Xiaofei;Zhang, Honglin;Chen, Kang;Zhu, Yingguang research published 《 Photoredox Catalyzed Trifluoromethyl Radical-Triggered Trifunctionalization of 5-Hexenenitriles via Cyano Migration》, the research content is summarized as follows. A photoredox catalyzed trifluoromethyl radical-triggered trifunctionalization of 5-hexenenitriles via cyano group migration is reported. The cyano group migration is of high chemo-selectivity even in the presence of aryl or heteroaryl groups as competitors. This protocol provides a facile access to a broad scope of CF₃-containing compounds with high mol. complexity and functional group diversity. The success of gram-scale reaction and the versatility of products in derivative synthesis illustrate the potential value of this transformation in synthetic chem.

SDS of cas: 1722-12-9, 2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.
2-Chloropyrimidine is a molecule that can be synthesized by the oxidation of pyrimidine with hydrogen peroxide and hydrochloric acid. The reaction proceeds through an electrochemical process in which the oxidation catalyst is a platinum electrode. This reaction is catalyzed by the nucleophilic attack of malonic acid on the chloropyrimidine at the methylene group. This efficient method for making 2-chloropyrimidine has been applied to synthesize aryl halides, including phenyl chloropyrimidine and pyridyl chloropyrimidine, from their corresponding chloride and bromide precursors. The fluorescence properties of 2-chloropyrimidine have been studied in coordination chemistry, where it forms complexes with metal ions such as Mn2+. In this study, it was found that adsorption mechanisms are dependent on molecular size, charge density, kinetic energy, and adsorbent surface area., 1722-12-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives, including the nucleotides cytosine, thymine and uracil, thiamine (vitamin B1) and alloxan. 1722-12-9, formula is C4H3ClN2, Name is 2-Chloropyrimidine. It is also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. COA of Formula: C4H3ClN2.

Gupta, Shiv Shankar;Manisha;Kumar, Rakesh;Dhiman, Ankit Kumar;Sharma, Upendra research published 《 Predictable site-selective functionalization: Promoter group assisted para-halogenation of N-substituted (hetero)aromatics under metal-free condition》, the research content is summarized as follows. Regioselective para-C-H halogenation of N-pyrimidyl (hetero)aromatics (such as 5-bromo-1-(pyrimidin-2-yl)indoline, N-(4-bromophenyl)pyrimidin-2-amine, 6-bromo-1-(pyrimidin-2-yl)-1,2,3,4-tetrahydroquinoline, etc.) through SEAr (electrophilic aromatic substitution) type reaction is disclosed. SEAr type reaction has been utilized for the C5-bromination of indolines (para-selective) (such as 1-(pyrimidin-2-yl)indoline, 6-fluoro-1-pyrimidin-2-yl-2,3-dihydro-1H-indole, 1-pyrimidin-2-yl-2,3-dihydro-1H-indole-2-carboxylic acid Et ester, etc.) with N-bromosuccinimide under metal and additive-free conditions in good to excellent yields. The developed methodol. is also applicable for iodination and challenging chlorination. The pyrimidyl group is identified as a reactivity tuner that also controls the regioselectivity. The present method is also applicable for selective halogenation of aniline, pyridine, indole, oxindole, pyrazole, tetrahydroquinoline, isoquinoline, and carbazole. DFT studies such as Fukui nucleophilicity and natural charge maps also support the observed p-selectivity. Post-functionalization of the title compound into the corresponding arylated, olefinated and dihalogenated products (5-phenyl-1-(pyrimidin-2-yl)indoline, 5-bromo-7-chloro-1-(pyrimidin-2-yl)indoline, (E)-1-(pyrimidin-2-yl)-5-styrylindoline) is achieved in a one-pot, two step fashion. Late-stage C-H bromination was also executed on drug/natural mols. (harmine, etoricoxib, clonidine, and chlorzoxazone) to demonstrate the applicability of the developed protocol.

1722-12-9, 2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.
2-Chloropyrimidine is a molecule that can be synthesized by the oxidation of pyrimidine with hydrogen peroxide and hydrochloric acid. The reaction proceeds through an electrochemical process in which the oxidation catalyst is a platinum electrode. This reaction is catalyzed by the nucleophilic attack of malonic acid on the chloropyrimidine at the methylene group. This efficient method for making 2-chloropyrimidine has been applied to synthesize aryl halides, including phenyl chloropyrimidine and pyridyl chloropyrimidine, from their corresponding chloride and bromide precursors. The fluorescence properties of 2-chloropyrimidine have been studied in coordination chemistry, where it forms complexes with metal ions such as Mn2+. In this study, it was found that adsorption mechanisms are dependent on molecular size, charge density, kinetic energy, and adsorbent surface area., COA of Formula: C4H3ClN2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. 1722-12-9, formula is C4H3ClN2, Name is 2-Chloropyrimidine. In nucleic acids, three types of nucleobases are pyrimidine derivatives: cytosine (C), thymine (T), and uracil (U). Quality Control of 1722-12-9.

Hamada, Shohei;Sugimoto, Koichi;Elboray, Elghareeb E.;Kawabata, Takeo;Furuta, Takumi research published 《 Chemoselective Oxidation of p-Methoxybenzyl Ethers by an Electronically Tuned Nitroxyl Radical Catalyst》, the research content is summarized as follows. The oxidation of p-methoxy benzyl (PMB) ethers e.g., 1-methoxy-4-[(3-phenylpropoxy)methyl]benzene was achieved using nitroxyl radical catalyst I, which contains electron-withdrawing ester groups adjacent to the nitroxyl group. The oxidative deprotection of the PMB moieties on the hydroxy groups was observed upon treatment of I with 1 equiv of the co-oxidant Ph iodonium bis(trifluoroacetate) (PIFA). The corresponding carbonyl compounds e.g., 3-phenylpropanal were obtained by treating the PMB-protected alcs., e.g., 3-phenylpropan-1-ol, with I and an excess of PIFA.

Quality Control of 1722-12-9, 2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.
2-Chloropyrimidine is a molecule that can be synthesized by the oxidation of pyrimidine with hydrogen peroxide and hydrochloric acid. The reaction proceeds through an electrochemical process in which the oxidation catalyst is a platinum electrode. This reaction is catalyzed by the nucleophilic attack of malonic acid on the chloropyrimidine at the methylene group. This efficient method for making 2-chloropyrimidine has been applied to synthesize aryl halides, including phenyl chloropyrimidine and pyridyl chloropyrimidine, from their corresponding chloride and bromide precursors. The fluorescence properties of 2-chloropyrimidine have been studied in coordination chemistry, where it forms complexes with metal ions such as Mn2+. In this study, it was found that adsorption mechanisms are dependent on molecular size, charge density, kinetic energy, and adsorbent surface area., 1722-12-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives, including the nucleotides cytosine, thymine and uracil, thiamine (vitamin B1) and alloxan. 1722-12-9, formula is C4H3ClN2, Name is 2-Chloropyrimidine. It is also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Category: pyrimidines.

Han, Dongyang;Li, Sasa;Xia, Siqi;Su, Mincong;Jin, Jian research published 《 Nickel-Catalyzed Amination of (Hetero)aryl Halides Facilitated by a Catalytic Pyridinium Additive》, the research content is summarized as follows. An efficient and operationally simple Ni-catalyzed amination protocol has been developed. This methodol. features a simple Ni^II salt, an organic base and catalytic amounts of both a pyridinium additive and Zn metal. A diverse number of (hetero)aryl halides RX (R = 4-methanesulfonylphenyl, 3-cyanopyridin-2-yl, 1,3-benzoxazol-2-yl, etc.; X = Br, Cl) were coupled successfully with primary and secondary alkyl amines and anilines such as cyclohexanamine, pyrrolidine, 4-methylaniline, etc. in good to excellent yields RR¹ [R¹ = cyclohexylaminyl, pyrrolidin-1-yl, (4-methylphenyl)aminyl, etc.]. Similarly, benzophenone imine gave the corresponding N-arylation product N-(4-(methylsulfonyl)phenyl)-1,1-diphenylmethanimine in an excellent yield.

Category: pyrimidines, 2-Chloropyrimidine is a monochlorinated pyrimidine with plant growth regulating activity. Chloropyrimidine is a useful reagent in the preparation of antivirals and other biologically active compounds.
2-Chloropyrimidine undergoes cobalt-catalyzed cross-coupling reaction with aryl halides.
2-Chloropyrimidine is a molecule that can be synthesized by the oxidation of pyrimidine with hydrogen peroxide and hydrochloric acid. The reaction proceeds through an electrochemical process in which the oxidation catalyst is a platinum electrode. This reaction is catalyzed by the nucleophilic attack of malonic acid on the chloropyrimidine at the methylene group. This efficient method for making 2-chloropyrimidine has been applied to synthesize aryl halides, including phenyl chloropyrimidine and pyridyl chloropyrimidine, from their corresponding chloride and bromide precursors. The fluorescence properties of 2-chloropyrimidine have been studied in coordination chemistry, where it forms complexes with metal ions such as Mn2+. In this study, it was found that adsorption mechanisms are dependent on molecular size, charge density, kinetic energy, and adsorbent surface area., 1722-12-9.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The nomenclature of pyrimidines is straightforward. However, like other heterocyclics, tautomeric hydroxyl groups yield complications since they exist primarily in the cyclic amide form. 554-01-8, formula is C5H7N3O, Name is 4-Amino-5-methylpyrimidin-2(1H)-one. For example, 2-hydroxypyrimidine is more properly named 2-pyrimidone. A partial list of trivial names of various pyrimidines exists. Application In Synthesis of 554-01-8.

Hao, Liping;Ru, Shaoguo;Qin, Jingyu;Wang, Weiwei;Zhang, Jie;Wei, Shuhui;Wang, Jun;Zhang, Xiaona research published 《 Transgenerational effects of parental bisphenol S exposure on zebrafish (Danio rerio) reproduction》, the research content is summarized as follows. Bisphenol S (BPS) is extensively used for production of polycarbonates and other commodities, and is often detected in environment and biota. Parental BPS exposure has been reported to interfere with reproductive development of offspring, but limited information is available on its multigenerational reproductive toxicity. In our present study, zebrafish (Danio rerio) were exposed to BPS (1 and 100μg/L) from 3 hpf to 120 dpf, and the effects on reproduction, sex steroid hormones, DNA methylation levels and gene transcription involved in steroidogenesis and DNA methylation were investigated in unexposed F1-2 offspring. The results showed that 100μg/L BPS exposure increased DNA methylation in F1 testes, and 1μg/L BPS led to DNA methylation in F2 ovaries. The increased DNA methylation levels led to decreased expression of steroidogenic enzymes, including cyp11a, cyp17 and 3βhsd, which might be a main reason for the elevated plasma 17β-estradiol and decreased testosterone levels. In addition, sex ratio indicated a female dominance trend, and reproductive capacity of male fish was severely impaired. Overall, these findings suggest that parental BPS exposure impairs reproductive development of unexposed offspring via DNA methylation and BPS-induced epigenetic modification inheritance has a long-term effect on the fitness and sustainability of fish populations.

Application In Synthesis of 554-01-8, 5-Methylcytosine is a methylated form of the nucleobase cytosine occurring predominantly in cytosine-phosphate-guanine (CpG) islands that are produced by DNA methyltransferases and may regulate gene expression. Like cytosine, the DNA sequence containing 5-methylcytosine (5-mC) is able to be replicated without error and 5-mC can pair with guanine in double stranded DNA. However, DNA sequences containing a high local concentration of 5-mC may be less transcriptionally active than areas with higher ratios of unmodified cytosine.
5-Methylcytosine belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 5-Methylcytosine exists as a solid, slightly soluble (in water), and a very weakly acidic compound (based on its pKa). Within the cell, 5-methylcytosine is primarily located in the cytoplasm. 5-Methylcytosine can be biosynthesized from cytosine. Outside of the human body, 5-methylcytosine can be found in tea. This makes 5-methylcytosine a potential biomarker for the consumption of this food product.
5-methylcytosine is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a member of pyrimidines and a methylcytosine. It derives from a cytosine.
5-Methylcytosine is a nucleic acid that is found in the DNA and RNA of the cell. It is an important component of methylation, which is the process by which a methyl group is added to a molecule. This process can lead to cellular transformation, a process that can cause cancer. 5-Methylcytosine has also been shown as a molecular pathogenesis factor in infectious diseases such as HIV and herpes simplex virus type 1. The presence of 5-methylcytosine in nuclear DNA has been detected by analytical techniques such as gas chromatography/mass spectrometry (GC/MS). There are many analytical methods, including GC/MS, that can be used to detect 5-methylcytosine in cellular nuclei., 554-01-8.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The systematic study of pyrimidines began in 1884 with Pinner, who synthesized derivatives by condensing ethyl acetoacetate with amidines. Pinner first proposed the name “pyrimidin” in 1885. 554-01-8, formula is C5H7N3O, Name is 4-Amino-5-methylpyrimidin-2(1H)-one. The parent compound was first prepared by Gabriel and Colman in 1900, by conversion of barbituric acid to 2,4,6-trichloropyrimidine followed by reduction using zinc dust in hot water. SDS of cas: 554-01-8.

Hasan, Mehedi Md;Tsukiyama, Sho;Cho, Jae Youl;Kurata, Hiroyuki;Alam, Ashad Md;Liu, Xiaowen;Manavalan, Balachandran;Deng, Hong-Wen research published 《 Deepm5C: A deep-learning-based hybrid framework for identifying human RNA N5-methylcytosine sites using a stacking strategy》, the research content is summarized as follows. As one of the most prevalent post-transcriptional epigenetic modifications, N5-methylcytosine (m5C) plays an essential role in various cellular processes and disease pathogenesis. Therefore, it is important accurately identify m5C modifications in order to gain a deeper understanding of cellular processes and other possible functional mechanisms. Although a few computational methods have been proposed, their resp. models have been developed using small training datasets. Hence, their practical application is quite limited in genome-wide detection. To overcome the existing limitations, we propose Deepm5C, a bioinformatics method for identifying RNA m5C sites throughout the human genome. To develop Deepm5C, we constructed a novel benchmarking dataset and investigated a mixture of three conventional feature-encoding algorithms and a feature derived from word-embedding approaches. Afterward, four variants of deep-learning classifiers and four commonly used conventional classifiers were employed and trained with the four encodings, ultimately obtaining 32 baseline models. A stacking strategy is effectively utilized by integrating the predicted output of the optimal baseline models and trained with a one-dimensional (1D) convolutional neural network. As a result, the Deepm5C predictor achieved excellent performance during cross-validation with a Matthews correlation coefficient and an accuracy of 0.697 and 0.855, resp. The corresponding metrics during the independent test were 0.691 and 0.852, resp. Overall, Deepm5C achieved a more accurate and stable performance than the baseline models and significantly outperformed the existing predictors, demonstrating the effectiveness of our proposed hybrid framework. Furthermore, Deepm5C is expected to assist community-wide efforts in identifying putative m5Cs and to formulate the novel testable biol. hypothesis.

SDS of cas: 554-01-8, 5-Methylcytosine is a methylated form of the nucleobase cytosine occurring predominantly in cytosine-phosphate-guanine (CpG) islands that are produced by DNA methyltransferases and may regulate gene expression. Like cytosine, the DNA sequence containing 5-methylcytosine (5-mC) is able to be replicated without error and 5-mC can pair with guanine in double stranded DNA. However, DNA sequences containing a high local concentration of 5-mC may be less transcriptionally active than areas with higher ratios of unmodified cytosine.
5-Methylcytosine belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. 5-Methylcytosine exists as a solid, slightly soluble (in water), and a very weakly acidic compound (based on its pKa). Within the cell, 5-methylcytosine is primarily located in the cytoplasm. 5-Methylcytosine can be biosynthesized from cytosine. Outside of the human body, 5-methylcytosine can be found in tea. This makes 5-methylcytosine a potential biomarker for the consumption of this food product.
5-methylcytosine is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a member of pyrimidines and a methylcytosine. It derives from a cytosine.
5-Methylcytosine is a nucleic acid that is found in the DNA and RNA of the cell. It is an important component of methylation, which is the process by which a methyl group is added to a molecule. This process can lead to cellular transformation, a process that can cause cancer. 5-Methylcytosine has also been shown as a molecular pathogenesis factor in infectious diseases such as HIV and herpes simplex virus type 1. The presence of 5-methylcytosine in nuclear DNA has been detected by analytical techniques such as gas chromatography/mass spectrometry (GC/MS). There are many analytical methods, including GC/MS, that can be used to detect 5-methylcytosine in cellular nuclei., 554-01-8.

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia