Month: February 2023

The efficient one-step chlorination of methylsulfanyl group on pyrimidine ring system with sulfuryl chloride was written by Ham, Young Jin;Lee, Duck-Hyung;Choi, Hwan Geun;Hah, Jung-Mi;Sim, Taebo. And the article was included in Tetrahedron Letters in 2010.Recommanded Product: 4-Chloro-7-methylthieno[3,2-d]pyrimidine This article mentions the following:

A facile one-step transformation of methylsulfanyl and arylsulfanyl groups on pyrimidine ring system into the corresponding chloride group was achieved using sulfuryl chloride in acetonitrile/dichloromethane. In the experiment, the researchers used many compounds, for example, 4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0Recommanded Product: 4-Chloro-7-methylthieno[3,2-d]pyrimidine).

4-Chloro-7-methylthieno[3,2-d]pyrimidine (cas: 175137-21-0) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. As nucleotides in DNA and RNA, pyrimidine nucleotide derivatives have a wide range of biological applications. For example, pyrimidine derivatives are useful in DNA repair studies involving cancer and epigenetics.Recommanded Product: 4-Chloro-7-methylthieno[3,2-d]pyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Highly enhanced biodegradation of pharmaceutical and personal care products in a novel tidal flow constructed wetland with baffle and plants was written by Cheng, Yu-Xiao;Chen, Jun;Wu, Dan;Liu, You-Sheng;Yang, Yong-Qiang;He, Lu-Xi;Ye, Pu;Zhao, Jian-Liang;Liu, Shuang-Shuang;Yang, Bin;Ying, Guang-Guo. And the article was included in Water Research in 2021.Safety of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Research on decentralized wastewaters deserves special focus due to the potential abundance of emerging organic pollutants including pharmaceutical and personal care products (PPCPs), which might pose serious threats to the local water bodies and even to human health. Constructed wetland (CW) is a common decentralized wastewater treatment technol., with a certain ability to eliminate PPCPs. Nonetheless, PPCPs removal in common CWs is frequently challenging, besides, the removal mechanism remains elusive. Based on our previous study, tidal flow constructed wetlands (TFCWs) is effective in nitrogen removal. Here, 3 TFCWs with different modifications (baffle, plants, both baffle and plants) were constructed to treat raw domestic sewage and specifically to evaluate the removal efficiencies and mechanism of PPCPs. 24 PPCPs including 7 antibiotics, 8 steroid hormones and 9 biocides were detected in the level of 1.10 ± 0.29 ng/L-799 ± 10.6 ng/L in the influents. Consequently, we found that modification with both baffle and plants significantly influenced the removal of PPCPs. Moreover, the highest removal rates of biocides (97.1 ± 0.29%), steroid hormones (99.8 ± 0.02%), and antibiotics (90.2 ± 1.60%) were achieved via both baffles and plants in TFCWs. Based on the mass balance anal., microbial degradation dominated the removal of PPCPs with a percentage higher than 85.7%, followed by substrate adsorption (5.22 x 10^-2-14.3%) and plant uptake (1.66 x 10^-3-0.44%). Further, 16S rDNA sequencing anal. revealed that the presence of baffle and plants improve the removal efficiency of PPCPs by means of enhancing microbial diversity and changing dominant microorganisms. Moreover, Thaumarchaeota was potentially the key microorganism in the phylum level for PPCPs elimination by TFCWs through LEfSe (linear discriminant anal. (LDA) effect size) anal. These findings provide new insights into the removal of PPCPs in CWs. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Safety of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. A Cu-catalyzed and 4-HO-TEMPO-mediated [3 + 3] annulation of commercially available amidines with saturated ketones enables an efficient and facile synthesis of structurally important pyrimidines via a cascade reaction of oxidative dehydrogenation/annulation/oxidative aromatization.Safety of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Gas- and liquid-phase C-H acidity of terminal acetylenes was written by Tupitsyn, I. F.;Popov, A. S.;Shibaev, A. Yu.. And the article was included in Zhurnal Obshchei Khimii in 1992.Safety of 2-Ethynylpyrimidine This article mentions the following:

Both corrected AM1 and MINDO/3 methods constituted acceptable approximations for calculation of proton affinity of ethynyde carbanions. Decrease in heat of deprotonation along the series H_nXCCH (X = 2nd period element C, N, O, F) testifies to the predominant role of electronegativity in C-H acidity; bond-length variations along this series, however, indicate repulsive interactions between the carbanion center and heteroatom. Carbanion stability increases (proton affinity decreases) upon 2nd- to 3rd row exchange, e.g., from H₃CCC^– to H₃SiCC^–; that this stabilization originates in dπ-conjugation is substantiated by decreasing Si-C bond length in the carbanion vs. acid. Heat of deprotonation decreases from HCCH to RCCH (R = aryl, N-containing heteroaryl) regardless of the degree of electron deficiency or electron excess in the ring. Correlations of heat of deprotonation with exptl. pK_a (thermodn. acidity) and k_D (kinetics of H-D exchange, as measure of kinetic acidity) were discussed. In the experiment, the researchers used many compounds, for example, 2-Ethynylpyrimidine (cas: 37972-24-0Safety of 2-Ethynylpyrimidine).

2-Ethynylpyrimidine (cas: 37972-24-0) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Safety of 2-Ethynylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Pyrimidine derivatives as potent and selective A₃ adenosine receptor antagonists was written by Yaziji, Vicente;Rodriguez, David;Gutierrez-de-Teran, Hugo;Coelho, Alberto;Caamano, Olga;Garcia-Mera, Xerardo;Brea, Jose;Loza, Maria Isabel;Cadavid, Maria Isabel;Sotelo, Eddy. And the article was included in Journal of Medicinal Chemistry in 2011.Formula: C16H13N3 This article mentions the following:

Two regioisomeric series of diaryl 2- or 4-amidopyrimidines e. g. I, II have been synthesized and their adenosine receptor affinities were determined in radioligand binding assays at the four human adenosine receptors (hARs). Some of the ligands prepared herein exhibit remarkable affinities (K_i < 10 nm) and, most noticeably, the absence of activity at the A₁, A_2A, and A_2B receptors. The structural determinants that support the affinity and selectivity profiles of the series were highlighted through an integrated computational approach, combining a 3D-QSAR model built on the second generation of GRid Independent Descriptors (GRIND2) with a novel homol. model of the hA₃ receptor. The robustness of the computational model was subsequently evaluated by the design of new derivatives exploring the alkyl substituent of the exocyclic amide group. The synthesis and evaluation of the novel compounds validated the predictive power of the model, exhibiting excellent agreement between predicted and exptl. activities. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Formula: C16H13N3).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. The pyrimidine derivatives can easily interact with enzymes, genetic materials, and bio components within the cell. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Formula: C16H13N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Exposure to antibiotics and precocious puberty in children: A school-based cross-sectional study in China was written by Hu, Yabin;Li, Juan;Yuan, Tao;Yu, Tingting;Chen, Yao;Kong, Huijun;Lin, Cuilan;Shen, Zhemin;Tian, Ying;Tong, Shilu;Yu, Xiaodan;Liu, Shijian. And the article was included in Environmental Research in 2022.Reference of 1220-83-3 This article mentions the following:

Foods and water can be contaminated with antibiotics in China, which may affect children′s health, but evidence on antibiotic exposure with precocious puberty (PP) is limited. This study explored the association of antibiotic exposure with PP in a school-based setting. A cross-sectional study with multistage stratified cluster random sampling was conducted in Zhongshan City, Guangdong Province and Qufu City, Shandong Province in China from Oct. 11 to Dec. 5, 2019. A first-morning urine sample was collected to detect antibiotic exposure. We detected 33 of 45 types of antibiotics from eight categories in 928 primary school children aged 6-12 years using HPLS-MS/MS. Detection rate of antibiotics was stratified by sex, study site, and BMI. The Tanner stages were assessed by professional pediatricians from local hospitals. PP is defined as the onset of secondary characters before 8-yr-old or menarche before 10-yr-old for girls and before 9-yr-old for boys. Multivariable logistic regression was performed to examine the association between antibiotic exposure and PP after adjusting potential confounders. The overall detection rate of antibiotics was 93.0% in 928 children. We found the detection rate of tetracyclines and fluoroquinolones in children with PP was significantly higher than that of children with normal puberty (41.4% vs 29.9%, 56.8% vs 50.6%, resp., all p < 0.05). Both fluoroquinolones (odds ratio (OR): 1.835, 95% confidence interval (CI): 1.066-3.158) and tetracyclines (OR: 2.120, 95% CI: 1.175-3.825) were associated with increased OR of PP after adjusting sex, age, BMI, study site, and family income. Specifically, compared to the values less than the limits of detection, low concentration of ofloxacin from fluoroquinolones (OR: 2.056, 95% CI: 1.091-3.875) and high concentration of chlortetracycline (OR: 3.027, 95% CI: 1.126-8.140) and tetracycline from tetracyclines (OR: 2.756, 95% CI: 1.167-6.506) were associated with increased OR of PP. Exposure to antibiotics, especially fluoroquinolones and tetracyclines was pos. associated with precocious puberty. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Reference of 1220-83-3).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Reference of 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthesis, antioxidant, and antiviral properties of pyrimidinylsulfamoyl azolyl acetamides was written by Divya, Kuppi Reddy Gari;Sowmya, Donthamsetty V.;Durgamma, Suram;Tharanath, Vadlamudi;Gopal, Divi Venkataramana Sai;Kumar, Malaka Venkateshwarulu Jyothi;Appa Rao, Chippada;Padmaja, Adivireddy;Padmavathi, Venkatapuram. And the article was included in Medicinal Chemistry Research in 2017.Recommanded Product: 40230-24-8 This article mentions the following:

A new class of pyrimidinylsulfamoyl azolyl acetamides was prepared from 2-pyrimidinylsulfamoyl acetic acid and 2-aminoazoles. The methoxy substituted pyrimidinylsulfamoyl oxazolyl acetamide (8e) displayed moderate antioxidant activity. The Me and methoxy substituted pyrimidinylsulfamoyl oxazolyl acetamides (8b, 8e) exhibited antiviral activity on BHK 21 cell lines with IC₅₀ 63.5, 44.5 μg/mL, resp. The compound 8e inhibited cytopathic changes induced by Blue Tongue Virus in cell lines. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Recommanded Product: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Recommanded Product: 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Studies on 5H-pyrimidothiazines. Part I. Synthesis of 6- and 7-carboxyalkyl derivatives of 5H-pyrimido[4,5-b][1,4]thiazine was written by Duro, F.;Santagati, N. A.;Scapini, G.. And the article was included in Farmaco, Edizione Scientifica in 1978.Formula: C4H5N3O This article mentions the following:

Primidothiazines I (R = H, R¹ = CO₂Me; R = Me, Ph, R¹ = CO₂Et; R = CO₂Et, R¹ = H) were obtained by treating 4-mercapto-5-aminopyrimidine (II) with HCOCHClCO₂Me, AcCHClCO₂Et, BzCHClCO₂Et, or BrCH₂COCO₂Et resp. I (R = CO₂Et, R¹ = H) was hydrolyzed to the acid. Reaction of I (R = Ph, R¹ = CO₂Et) with N₂H₄ gave the pyrazolone III, which was cleaved by N₂H₄ to II and 3-phenyl-3-pyrazoline-5-one. Reaction of II with BzCHClCO₂Et in the presence of NaOMe gave the ester IV, which was hydrolyzed to the acid and cyclized by HOAc to 5H-pyrimido[4,5-b][1,4]thiazin-6(7H)-one. In the experiment, the researchers used many compounds, for example, 5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0Formula: C4H5N3O).

5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0) belongs to pyrimidine derivatives. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Formula: C4H5N3O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Transformations of substituted 5-aminopyrimidines under conditions of diazotization was written by Nemeryuk, Michal P.;Sedov, Andrej L.;Safonova, Tamara S.;Cerny, Antonin;Krepelka, Jiri. And the article was included in Collection of Czechoslovak Chemical Communications in 1986.Computed Properties of C4H5N3O This article mentions the following:

Diazotization of aminopyrimidines I (R = H; R¹ = SMe, SCH₂Ph, OMe, H, OH; R² = OMe, Cl, OH, etc.) gave triazoles II (R³ = CO₂Me, COSMe, COSCH₂Ph, CONH₂, etc.). Under similar conditions diaminopyrimidines I [R = NH₂, R¹ = SCH₂C₆H₄R⁴-4 (R⁴ = NO₂, CO₂Et, CONHCHMe₂, H), R² = Me] gave pyrimidotriazine N-oxides III. In the experiment, the researchers used many compounds, for example, 5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0Computed Properties of C4H5N3O).

5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0) belongs to pyrimidine derivatives. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. For example, the neurotoxin tetrodotoxin is a pyrimidine derivative. It is found in a number of species including the Japanese puffer fish, the blue-ringed octopus, and the orange-bellied newt. Tetrodotoxin prevents the transmission of nerve signals and can result in paralysis and death.Computed Properties of C4H5N3O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthesis and biological activity of some 2-amino-4,6-substituted-diarylpyrimidines. Reaction of substituted chalcones with guanidinium carbonate was written by Sharma, Vandana;Sharma, K. V.. And the article was included in Rasayan Journal of Chemistry in 2011.Recommanded Product: 40230-24-8 This article mentions the following:

A series of substituted 2-Amino-4,6-diarylpyrimidines were synthesized by the reaction of appropriately substituted chalcones and guanidinium carbonate in DMF. The synthesized pyrimidines were characterized on the basis of their chem. properties and spectroscopic data. These compounds were screened for biol. activity against a variety of test organisms. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Recommanded Product: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. A Cu-catalyzed and 4-HO-TEMPO-mediated [3 + 3] annulation of commercially available amidines with saturated ketones enables an efficient and facile synthesis of structurally important pyrimidines via a cascade reaction of oxidative dehydrogenation/annulation/oxidative aromatization.Recommanded Product: 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The tautomeric equilibria of thio analogs of nucleic acid bases. Part 1. 2-Thiouracil: background, preparation of model compounds, and gas-phase proton affinities was written by Katritzky, Alan R.;Baykut, Gokhan;Rachwal, Stanislaw;Szafran, Miroslaw;Caster, Kenneth C.;Eyler, John. And the article was included in Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999) in 1989.Formula: C5H5ClN2O This article mentions the following:

The preparation is reported of all four of the monoalkyl derivatives of 2-thiouracil and of four of the six possible dialkyl derivatives required as models for a study of the tautomeric equilibrium by phys. methods. Gas-phase proton affinities are determined using ion cyclotron resonance mass spectrometry, and are used to provide quant. estimates of individual tautomer stabilities in the vapor state. These quant. results agree well with qual. deductions of predominant structures for the monoalkyl derivatives from IR spectroscopy. In the experiment, the researchers used many compounds, for example, 4-Chloro-2-methoxypyrimidine (cas: 51421-99-9Formula: C5H5ClN2O).

4-Chloro-2-methoxypyrimidine (cas: 51421-99-9) belongs to pyrimidine derivatives. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Formula: C5H5ClN2O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia