Day: January 6, 2023

Comprehensive survey and health risk assessment of antibiotic residues in freshwater fish in southeast China was written by Hua, Yongyou;Yao, Qinghua;Lin, Jian;Li, Xi;Yang, Yan. And the article was included in Journal of Food Composition and Analysis in 2022.Computed Properties of C11H12N4O3S This article mentions the following:

To assess the health risks from antibiotic residues in freshwater fish, this study analyzed residues of 65 antibiotics in 10 freshwater fish species sampled in southeast China. Eight antibiotics were detected by UPLC-MS/MS at an overall detection rate of 53.9 %, with 3.48 % of samples exceeding MRLs and 13.0 % suggesting the misuse of human antibiotics. Quinolones, particularly enrofloxacin, were the most frequently detected residues. Azithromycin, an antibiotic intended only for human use, was detected at a rate of 14.8 % at concentrations up to 453.1 μg/kg. Antibiotic residues varied in category and concentration across freshwater fish species. Residues were detected in benthic predatory fish at higher levels than in middle or upper omnivorous or herbivorous fish. Estimated daily intakes showed that the consumption of cultured fish from this region does not pose a serious risk to human health, the hazard index being less than one. However, these findings suggest that the abuse of antibiotics in aquaculture is still a problem, and more attention should be paid to their residues in fish to enhance food safety. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Computed Properties of C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Computed Properties of C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

The investigation of influencing factors on the degradation of sulfonamide antibiotics in iron-impregnated biochar-activated urea-hydrogen peroxide system: A QSAR study was written by Cheng, Zhiwen;Chen, Qincheng;Liu, Shiqiang;Liu, Yawei;Ren, Yuanyang;Zhang, Xuxiang;Shen, Zhemin. And the article was included in Journal of Hazardous Materials in 2022.Formula: C11H12N4O3S This article mentions the following:

Iron-impregnated biochar-activated urea-hydrogen peroxide (FB-activated UHP) is a potential in-situ technol. for simultaneously reducing soil sulfonamide antibiotic contaminants and improving soil fertility. To better understand the degradation of sulfonamide antibiotics by FB-activated UHP, a two-dimensional quant. structure-activity relationship (2D-QSAR) model based on quantum chem. parameters and a three-dimensional QSAR (3D-QSAR) model based on mol. force field were developed to investigate the factors influencing the removal efficiencies (Re%). The optimal 2D-QSAR model was Re%= 0.858-8.930 E-5 EB3LYP-0.175 f(+)_x with the evaluation indexes of R²= 0.732, q²= 0.571, and Q²_ext= 0.673. The given 2D-QSAR model indicated that the mol. size (EB3LYP) and Fukui index with respect to nucleophilic attack (f( + )) were intrinsic factors influencing Re%. Three degradation pathways were subsequently proposed based on the f( + ) distribution. Compared to the 2D-QSAR model, the developed 3D-QSAR model exhibited a better predictive ability, with the evaluation indexes of R²= 0.989, q²= 0.696, and SEE= 0.001. The anal. of field contribution rates suggested that electrostatic field (48.2%), hydrophobic field (25.3%), and hydrogen-bond acceptor field (12.7%) were the main factors influencing Re%. These findings generated critical information for evaluating the degradation mechanisms/rules and provided theor. bases for initially estimating the Re% of sulfonamide antibiotics undergoing FB-activated UHP process. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Formula: C11H12N4O3S).

4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3) 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. Pyrimidine derivatives have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthesis of N-tetra-O-acetyl-β-D-glucopyranosyl-N’-(4′,6′-diarylpyrimidin-2′-yl)thioureas was written by Nguyen, Dinh Thanh;Nguyen, Thi Thanh Mai. And the article was included in Carbohydrate Research in 2009.Application of 40230-24-8 This article mentions the following:

Some 2-amino-4,6-diarylpyrimidines, e.g. I, have been prepared from substituted benzylideneacetophenones and guanidine hydrochloride in the presence of alkali by conventional heating in alc. medium and microwave heating in solvent-free conditions. N-(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)-N’-(4′,6′-diarylpyrimidin-2′-yl)thioureas 4 have been synthesized by reaction of per-O-acetylated glucopyranosyl isothiocyanate and substituted 2-amino-4,6-diarylpyrimidines. Two different methods have been used, namely, refluxing in anhydrous dioxane and solvent-free microwave-assisted coupling. The second procedure afforded higher yields in much shorter reaction times. The compounds I and II were tested for their antibacterial and antifungal activities in vitro against Staphylococcus epidermidis, Enterobacter aerogenes and Candida albicans by disk diffusion method. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Application of 40230-24-8).

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. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Application of 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthesis of 2-bromopyrimidines and 2,2′-bipyrimidines was written by Bly, Donald D.. And the article was included in Journal of Organic Chemistry in 1964.Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine This article mentions the following:

2-Bromo-4,6-dimethylpyrimidine (I) was prepared from 2-amino-4,6-dimethylpyrimidine by reverse addition diazotization. Similarly, 2-amino-4-chloro-6-methylpyrimidine was diazotized to 2-bromo-4-chloro-6-methylpyrimidine (II) together with some 4-chloro-2-pyrimidinol. I was coupled with the elimination of Br to give 4,4′,6,6′-tetramethyl-2,2-bipyrimidine. II did not afford 4,4′-dichloro-6,6′-dimethyl-2,2′-bipyrimidine and work had to be suspended owing to a severe dermatitis that appeared on the author’s hands. Infrared and ultraviolet spectra of the compounds prepared are given. In the experiment, the researchers used many compounds, for example, 2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine).

2-Bromo-4,6-dimethylpyrimidine (cas: 16879-39-3) belongs to pyrimidine derivatives. Pyrimidines are isomeric with two other forms of diazines: pyridazine, with the nitrogen atoms in the 1 and 2 positions; and pyrazine, with the nitrogen atoms in the 1 and 4 positions. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Application In Synthesis of 2-Bromo-4,6-dimethylpyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Theoretical and ¹⁵N NMR study of 6-amino-4-oxopyrimidines was written by Alderete, Joel B.;Madariaga, Sandra T.;Quiroga Y., Jairo;Insuasty, Braulio. And the article was included in Boletin de la Sociedad Chilena de Quimica in 1996.Formula: C6H9N3OS This article mentions the following:

We have carried out a theor. study, using semi-empirical methods, on the tautomerism of 2-methylthio-6-amino-4-oxopyrimidine (S6AMP) and 2-methoxy-6-amino-4-oxopyrimidine (O6AMP), bot in the gas phase and aqueous solution The results shows that in the gas phase and solution the oxoamino tautomer is the most stable in both compounds These compounds and N-Me derivatives were characterized by ¹⁵N-NMR. The spectra of S6AMP and O6AMP in trifluoroacetic acid indicate that the N1 of pyrimidine ring is the preferential site of protonation. This result is in keeping with the values of proton affinities, calculated by AM1 method. 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 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.Formula: C6H9N3OS

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Design, synthesis, spectral analysis and in vitro microbiological evaluation of 2-phenyl-3-(4,6-diarylpyrimidin-2-yl)thiazolidin-4-ones was written by Gopalakrishnan, M.;Thanusu, J.;Kanagarajan, V.. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2009.Formula: C16H13N3 This article mentions the following:

A series of novel 2-phenyl-3-(4,6-diarylpyrimidin-2-yl)thiazolidin-4-ones were synthesized. Their in vitro antibacterial and antifungal activities against clin. isolated strains were studied. Generally compounds possessing electron donating groups showed good antibacterial activity. Compound I containing both electron withdrawing chloro and electron donating Me groups showed potent activity against all the tested Gram pos. and Gram neg. bacterial strains whereas compounds containing electron donating methoxy functional group at the para position of the Ph ring attached to pyrimidine ring showed promising activity against S.aureus, S.typhii and E.coli. Compounds containing electron withdrawing groups (-Cl, -F) showed excellent activities against all the tested A. flavus, Mucor, Rhizopus and M.gypsuem fungal strains. Also compound I showed potent activity against A. flavus and Rhizopus. 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. 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.Formula: C16H13N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Study on the synthesis of 5-bromopyrimidine derivatives was written by Li, Gangyue;Zhang, Jie;Yan, Shenggang;Jiang, Shan. And the article was included in Guangdong Huagong in 2009.Synthetic Route of C10H7BrN2O This article mentions the following:

A method for the synthesis of the title compounds [i.e., 5-bromo-2-(phenoxy)pyrimidine derivatives] is reported here. Said target compounds were prepared by a reaction of 5-bromo-2-chloropyrimidine with phenol derivatives The substituent effects (electronic effect, steric effect and position of substituted groups) on the benzene ring were investigated. The results showed that the size of substituents had a significant effect on the product yield. The process has advantages, such as mild reaction conditions and simple operation. In the experiment, the researchers used many compounds, for example, 5-Bromo-2-phenoxypyrimidine (cas: 257280-25-4Synthetic Route of C10H7BrN2O).

5-Bromo-2-phenoxypyrimidine (cas: 257280-25-4) 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. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Synthetic Route of C10H7BrN2O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Regioselectivity in the reactions of aryltriisopropoxytitanium with pyrimidinones was written by Rise, Frode;Undheim, Kjell. And the article was included in Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) in 1985.Synthetic Route of C4H4Cl2N2O This article mentions the following:

Complete regioselectivity was observed in the 1:1 condensation between 4-RC₆H₄Ti(OCHMe₂)₃ (R = H, Cl, OMe) and pyrimidin-2(1H)ones I (R¹ = H; R² = Me, CH₂Ph, CH₂OCH₂Ph, CH₂SC₆H₄Cl-4; R³ = H, Cl, Br, iodo). The new C-C bond was formed at C-4 to yield product II. Subsequent dehydrogenation with MnO₂ or DDQ produced I (R¹ = C₆H₄R). In the experiment, the researchers used many compounds, for example, 5-Chloropyrimidin-2(1H)-one hydrochloride (cas: 42748-90-3Synthetic Route of C4H4Cl2N2O).

5-Chloropyrimidin-2(1H)-one hydrochloride (cas: 42748-90-3) 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. Pyrimidine derivatives also play an important role in drug development, either in concert with other compounds or on their own.Synthetic Route of C4H4Cl2N2O

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Novel influenza polymerase PB2 inhibitors for the treatment of influenza A infection was written by Zhang, Hongwang;Zhou, Longhu;Amichai, Sarah;Zandi, Keivan;Cox, Bryan;Schinazi, Raymond;Amblard, Franck. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2019.Application In Synthesis of 2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine This article mentions the following:

Exploration of the chem. space of known influenza polymerase PB2 inhibitor Pimodivir, was performed by our group. We synthesized and identified compounds I and II, two novel thienopyrimidine derivatives displaying anti-influenza A activity in the single digit nanomolar range in cell culture. Binding of these unique compounds in the influenza polymerase PB2 pocket was also determined using mol. modeling. In the experiment, the researchers used many compounds, for example, 2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine (cas: 35265-83-9Application In Synthesis of 2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine).

2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine (cas: 35265-83-9) 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. 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.Application In Synthesis of 2,4-Dichloro-7-methylthieno[3,2-d]pyrimidine

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Simultaneous screening and analysis of 155 veterinary drugs in livestock foods using ultra-high performance liquid chromatography tandem quadrupole linear-ion-trap mass spectrometry was written by Wang, Juanqiang;Zhao, Wentao;Guo, Wenping;Li, Yingying;Jiang, Rui;Li, Huichen;Wang, Shouwei;Li, Zhigang. And the article was included in Food Chemistry in 2022.Recommanded Product: 1220-83-3 This article mentions the following:

Veterinary drugs are widely used to improve the health and growth of livestock. The supervision of these residues is necessary to ensure food safety. A high-throughput method based on Oasis PRiME HLB with solid phase extraction for simultaneous qual. and quant. anal. of 155 veterinary drugs in livestock foods was developed by the ultra-high performance liquid chromatog. tandem quadrupole linear-ion-trap mass spectrometry (UHPLC-QTRAP-MS). The limits of detection and quantification ranged from 0.5 μg/kg to 5 μg/kg and 2 μg/kg to 20 μg/kg, resp. For over 85% of the analytes, the recoveries were between 60% and 120%. The pos. simulated samples perfectly matched with a purity fit value over 70% from the self-built library. The screening results of UHPLC-QTRAP-MS were almost consistent with UHPLC tandem quadrupole-exactive orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap/MS). The evaluated UHPLC-QTRAP-MS method was powerful and reliable for the screening and quantification of veterinary drugs in real samples. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Recommanded Product: 1220-83-3).

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 have been used in a wide variety of pharmaceuticals including general anesthetics, anti-epilepsy medication, anti-malaria medication, drugs for treating high blood pressure, and HIV medication.Recommanded Product: 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia