Day: February 6, 2023

Four products from the cyanoacetylation of pyrimidines: hydrogen-bonded dimers, π-stacked hydrogen-bonded chains and hydrogen-bonded chains of edge-fused rings was written by Trilleras, Jorge;Low, John N.;Cobo, Justo;Marchal, Antonio;Glidewell, Christopher. And the article was included in Acta Crystallographica, Section C: Crystal Structure Communications in 2008.Category: pyrimidines This article mentions the following:

The mols. of 2-[6-amino-3-methyl-2-(methylsulfanyl)-4-oxo-3,4-dihydropyrimidin-5-ylcarbonyl]acetonitrile, C₉H₁₀N₄O₂S, (I), are linked in pairs by N-H···O hydrogen bonds to form cyclic centrosym. R₂²(4) dimers. Similar dimers formed by 2-(6-amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-ylcarbonyl)acetonitrile, C₉H₁₀N₄O₃, (II), are reinforced by paired N-H···N hydrogen bonds and linked into chains of rings by C-H···O hydrogen bonds. The mols. of 2-cyano-N-[6-methoxy-2-(methylsulfanyl)pyrimidin-4-yl]acetamide, C₉H₁₀N₄O₂S, (III), are linked into simple C(6) chains by an N-H···N hydrogen bond, and the chains are weakly linked into sheets by a π-π stacking interaction. A combination of one two-center N-H···N hydrogen bond and one three-center C-H···(N,O) hydrogen bond links the mols. of 2-cyano-N-[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]acetamide, C₈H₇ClN₄OS, (IV), into a chain of alternating edge-fused R₂¹(6) and R₁²(6) rings. The crystal structures reported in this study, and those of some related examples from the recent literature, show a wide variation in hydrogen-bonded aggregation consequent upon rather small changes in mol. constitution. In the experiment, the researchers used many compounds, for example, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7Category: pyrimidines).

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7) belongs to pyrimidine derivatives. The aromatic compound pyrimidine, and its derivatives, are ubiquitous in nature. They are found in nucleic acids, vitamins, amino acids, antibiotics, alkaloids, and a variety of toxins. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Category: pyrimidines

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Assessment of veterinary antibiotics from animal manure-amended soil to growing alfalfa, alfalfa silage, and milk was written by Huang, Rongcai;Guo, Zitai;Gao, Shengtao;Ma, Lu;Xu, Jianchu;Yu, Zhongtang;Bu, Dengpan. And the article was included in Ecotoxicology and Environmental Safety in 2021.Safety of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Using animal manure as organic fertilizer to grow fodder crops is causing public health concerns because animal manure is the major reservoir of veterinary antibiotics. In this study, we used a math. model to estimate the risk of human exposure to veterinary antibiotics when using swine manure as organic fertilizer to grow alfalfa (Medicago sativa L.). Alfalfa was planted in a greenhouse and fertilized with swine manure spiked with oxytetracycline (OTC, at 0, 150, and 1500 mg/kg of manure), ofloxacin (OFL, at 0, 15, and 150 mg/kg), or sulfamonomethoxine (SMM, at 0, 5, 15 and 150 mg/kg). Alfalfa was harvested at the budding stage and ensiled for 60 days. Results showed that OTC and OFL could be detected in the alfalfa root, stem, and leaf with a concentration ranging from 8.85 to 59.17 μg OTC /kg and from 1.50 to 4.10 μg OFL/kg dry matter, but SMM could only be detected in the root ranging from 29.10 to 63.75 μg/kg dry matter. The ensiling for 60 days decreased the OFL concentration by 68.7% but only slightly decreased the OTC concentration The maximum daily exposures of humans to OTC and OFL through liquid milk consumption were estimated to be 5.84E-8 and 1.63E-8 μg, resp., both of which are well below the intake levels of OTC (72 μg) and OFL (54 μg) mandated by the European Union. The results of the present study indicate that using swine manure as organic fertilizer to grow alfalfa poses a limited risk for human exposure to veterinary antibiotics through the consumption of liquid milk. 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. The pyrimidine ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. 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.Safety of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Evaluation of growth and biochemical responses of freshwater microalgae Chlorella vulgaris due to exposure and uptake of sulfonamides and copper was written by Li, Shuangxi;Yu, Yunjiang;Gao, Xinxin;Yin, Zhihong;Bao, Jianfeng;Li, Zhuo;Chu, Ruoyu;Hu, Dan;Zhang, Jin;Zhu, Liandong. And the article was included in Bioresource Technology in 2021.COA of Formula: C11H12N4O3S This article mentions the following:

Sulfonamides (SAs) and heavy metals are frequently detected together in livestock wastewater. In this study, evaluations regarding their potentially adverse effects on microalgae and according removals were investigated. Results showed that the growth of C. vulgaris was inhibited by SAs and Cu. There was an obvious recovery period in photosynthetic activity (Fv/Fm), indicating that the damage to the photosystem of microalgae was reversible. The co-existence of SAs and Cu significantly affected the biochem. characteristics, including the activities of antioxidant enzyme and the contents of photosynthetic pigments, proteins and polysaccharides. The addition of Cu obviously promoted the removal efficiencies of SMZ, SMX and SMM, which might be ascribed to the bridging effect of Cu in the bioadsorption of SAs. This study is conducive to understand the changes in the biochem. responses of microalgae under the combined impacts of SAs and Cu, and provides a new insight for the simultaneous removals. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3COA of Formula: C11H12N4O3S).

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. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.COA of Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Highly efficient one-pot synthesis of α-aminophosphonates using nanoporous AlSBA-15 catalyst in a three-component system was written by Kolli, Murali Krishna;Palani, Elamathi;Govindasamy, Chandrasekar;Katta, Vishweshwar Rao. And the article was included in Research on Chemical Intermediates in 2020.Product Details of 90905-32-1 This article mentions the following:

Nanoporous AlSBA-15 catalysts with different nSi/nAl ratios (41, 129, and 210) were synthesized using a hydrothermal method. These catalysts were characterized by XRD, N₂ sorption, TPD-NH₃, FT-IR, SEM and TEM. XRD analyses of AlSBA-15 catalysts confirmed the presence of well-ordered crystalline structure with p6mm symmetry. The sp. surface area and specific pore volume of the AlSBA-15 catalysts are in the range of 480 to 757 m²/g and 0.65 to 0.95 cm³/g, resp. The catalytic performance of nanoporous AlSBA-15 catalysts are used as an outstanding catalytic system for one-pot synthesis of α-aminophosphonates via Kabachnik-Fields reaction in a three-component system using amines (primary/secondary), carbonyl compounds (aldehydes/ketones) and di-Et phosphite. The major advantages of the present contributions are excellent yields, short reaction time, simple exptl. technique, high chemo-selectivity, catalyst recyclability, easy work-up procedure and green approach. Three-component synthesis of α-aminophosphonates follows first imine formation from amine and aldehyde/ketone followed by phosphate addition The exptl. findings suggest that the nanoporous AlSBA-15 catalysts can be recycled and reused up to six cycles without any loss in the catalytic performance. In the experiment, the researchers used many compounds, for example, 2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1Product Details of 90905-32-1).

2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1) belongs to pyrimidine derivatives. Heterocyclic compounds bearing the pyrimidine core are of tremendous interest as they constitute an important class of natural and synthetic compounds exhibiting diverse useful biological activities that hold attractive potential for clinical translation as therapeutic agents in alleviation of a myriad of diseases. 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.Product Details of 90905-32-1

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Aminopyrimidines and derivatives. XIV. Preparation and study of 5-amino-4-(glycosylamino)-2-methoxy-(and 2-(methylthio))-6-oxopyrimidines was written by Nogueras Montiel, M.;Sanchez Rodrigo, A.;Asenjo Asenjo, R.;Melgarejo Sampedro, M.;Rodriguez Alonso, M.;Rodriguez Melgarejo, C.. And the article was included in Anales de Quimica, Serie C: Quimica Organica y Bioquimica in 1984.Formula: C6H9N3OS This article mentions the following:

(Glycosylamino)pyrimidinones (I; R = H, Me; R¹ = H; R² = H, CH₂OH; Z = O, S; 7 compounds) on treatment with NaNO₂ in AcOH or HCl gave the corresponding 5-nitroso compounds (I; R¹ = NO), which on reduction with (NH₄)₂S gave the title compounds (I; R¹ = NH₂). In the experiment, the researchers used many compounds, for example, 6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7Formula: C6H9N3OS).

6-Amino-3-methyl-2-(methylthio)pyrimidin-4(3H)-one (cas: 54030-56-7) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. 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.Formula: C6H9N3OS

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Three component one-pot synthesis of novel pyrimidino thiazolidin-4-ones catalyzed by activated fly ash was written by Kanagarajan, V.;Thanusu, J.;Gopalakrishnan, M.. And the article was included in Green Chemistry Letters and Reviews in 2009.Safety of 4,6-Diphenylpyrimidin-2-amine This article mentions the following:

The title compounds I (R¹ = H, Cl, MeO; R² = H, Cl, Me, F, MeO; R³ = H, Cl) were synthesized in good yields in a short reaction time by the “one-pot” multicomponent reaction of the corresponding 2-amino-4,6-diarylpyrimidines, benzaldehyde, and thioglycolic acid under microwave irradiation in the presence of activated fly ash catalyst. These compounds characterized by m.p., elemental anal., MS, FT-IR, and one-dimensional NMR (¹H and ¹³C) spectroscopic 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. The aromatic compound pyrimidine, and its derivatives, are ubiquitous in nature. They are found in nucleic acids, vitamins, amino acids, antibiotics, alkaloids, and a variety of toxins. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.Safety of 4,6-Diphenylpyrimidin-2-amine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

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