Pyrimidines

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

A Facile Microwave-Assisted “One-Pot” Synthesis of Piperazino Pyrimidinyl Acetamides, a Class of Hybrid Bis Heterocycles and Their Structural Elucidation Using NMR Spectral Techniques was written by Kanagarajan, V.;How, Ghee Ang;Siu, Choon Ng;Gopalakrishnan, M.. And the article was included in Journal of Heterocyclic Chemistry in 2013.Safety of 4,6-Diphenylpyrimidin-2-amine This article mentions the following:

An array of novel piperazino pyrimidinyl acetamides, a class of hybrid bis heterocycles are synthesized in “one-pot” by microwave irradiation method catalyzed by heterogeneous NaHSO₄.SiO₂ catalyst in dry media and are characterized by m.p., elemental anal., MS, FT-IR, one-dimensional NMR (¹H and ¹³C) and two-dimensional ¹H-¹H COSY and ¹H-¹³C HSQC spectral data. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Safety of 4,6-Diphenylpyrimidin-2-amine).

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.Safety of 4,6-Diphenylpyrimidin-2-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Spatiotemporal variations and source tracking of antibiotics in an ecological aquaculture farm in Southern China was written by Su, Haochang;Xu, Wujie;Hu, Xiaojuan;Xu, Yu;Wen, Guoliang;Cao, Yucheng. And the article was included in Science of the Total Environment in 2021.Category: pyrimidines This article mentions the following:

Although the occurrence and distribution of antibiotics in aquatic environments and reared organisms have been widely reported, the spatiotemporal variations and sources of antibiotics throughout the rearing period of aquaculture remain unclear. In this study, the concentrations and spatiotemporal variations of antibiotics in water sources, pond water, sediment, feed, and reared shrimp samples during three rearing periods in an ecol. shrimp farm in Southern China were investigated. The water, sediment, and feed samples were found to contain twelve, nine, and four types of antibiotics, resp., and the concentration of erythromycin-H2O was the highest among these antibiotics. No target antibiotics were detected in the reared shrimp samples from this typical shrimp farm, which employed ecol. rearing with no antibiotic use throughout the rearing processes. The total concentrations of antibiotics in water source were 1.96-40.58 times higher than those in pond water. A significant decrease in the total antibiotic concentrations of the pond water was observed, while a significant increase was observed in sediment during each rearing period (p < 0.05), suggesting that antibiotics transferred from the water phase to the sediment phase in the farm. Redundancy anal. demonstrated that the COD was neg. correlated with the concentration of the target antibiotics in the water samples during three rearing periods (p < 0.05). The results of calculations conducted using the concentrations of antibiotics in the water source, pond water, sediment, and feed samples detected in this study indicated that the water source was likely to be the main source of antibiotics in the rearing ponds. This study can provide a better understanding of the spatiotemporal variations and sources of antibiotics in aquaculture. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Category: pyrimidines).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) 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.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia