Tag: 200-300

Insights into binding modes of adenosine A_2B antagonists with ligand-based and receptor-based methods was written by Cheng, Feixiong;Xu, Zhejun;Liu, Guixia;Tang, Yun. And the article was included in European Journal of Medicinal Chemistry in 2010.HPLC of Formula: 40230-24-8 This article mentions the following:

Ligand-based and receptor-based methods were used to investigate the binding modes of human adenosine A_2B antagonists. At first, pharmacophore models were developed based on 140 diverse A_2B antagonists from literature. Meanwhile, the structural model of A_2B receptor was built up based on the crystal structure of human A_2A receptor and validated by Induced Fit docking, Glide-XP and Glide-SP docking. Two models matched each other very well and some important implications were hence obtained. The residues of Phe173 and Glu174 in the second extracellular loop and Asn254 were crucial to the antagonists binding to form π-π stacking and hydrogen-bonding interactions. These findings would be very helpful for the discovery of novel and potent A_2B antagonists. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8HPLC of Formula: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) 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. 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.HPLC of Formula: 40230-24-8

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Molecular docking, modeling, semiempirical calculations studies and in vitro evaluation of new synthesized pyrimidin-imide derivatives was written by Abo-Bakr, Ahmed M.;Alsoghier, Hesham M.;Abdelmonsef, Aboubakr H.. And the article was included in Journal of Molecular Structure in 2022.SDS of cas: 40230-24-8 This article mentions the following:

New pyrimidin-imide derivatives I (R = 1,3-dioxo-3a,4,7,7a-tetrahydro-2H-isoindol-2-yl, 1,3-dioxo-2H-isoindol-2-yl, 4,5,6,7-tetrachloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl, etc.) and II were synthesized by a condensation reaction of 4,6-diphenylpyrimidin-2-amine with different anhydrides such as phthalic anhydride, 1,8-naphthalic anhydride, pyromellitic dianhydride, etc. The synthesized compounds have been investigated and put under several studies such as, in vitro and in silico techniques, Lipinski’s rule of five (RO5), semiempirical (PM6) computational calculations in addition of some physicochem. parameters measurements to evaluate their biol. effect against Penicillin-Binding Protein 3 (PBP3) from Escherichia coli. These studies revealed that the newly synthesized pyrimidin-imides have min. binding energy and good affinity especially for ligand mol. 5 which may be considered a promising inhibitor for the PBP3 protein. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8SDS of cas: 40230-24-8).

4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8) 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. 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.SDS of cas: 40230-24-8

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

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

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

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

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

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

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

Gold-nanoparticle-based multiplex immuno-strip biosensor for simultaneous determination of 83 antibiotics was written by Lei, Xianlu;Xu, Xinxin;Liu, Liqiang;Xu, Liguang;Wang, Li;Kuang, Hua;Xu, Chuanlai. And the article was included in Nano Research.Computed Properties of C11H12N4O3S This article mentions the following:

Antibiotic residues, generated by the irrational use of drugs and environmental pollution, have always been a great challenge to aquaculture safety. Therefore, a quick, convenient, and performance-excellent way to detect antibiotic residues in aquaculture fish is urgently required. In this study, a multiplex immunochromatog. strip biosensor based on gold nanoparticles was developed for the simultaneous detection of five classes of antibiotic residues (24 β-lactam antibiotics, 26 sulfonamides, five tetracyclines, 24 quinolones, and four amphenicols) in aquaculture fish within 10 min. The detection ranges of five representative antibiotics, penicillin G, sulfamethazine, tetracycline, enrofloxacin, and chloramphenicol, were 2.33-38.4, 0.688-17.1, 1.4-48.1, 1.45-32.9, and 0.537-9.06 μg/kg, resp. The accuracy and stability of these measurements were demonstrated by analyzing spiked fish samples, with recovery rates of 87.5%-115.2% and a coefficient of variation < 9.5%. The cross-reaction rates, based on the five representative antibiotics, were 3.77%-202% for β-lactams, 3.95%-137% for sulfonamides, 9.19%-100% for tetracyclines, 4.9%-145% for quinolones, and 3.2%-100% for amphenicols. The excellent testing performance of the biosensor strip to most of antibiotic residues in aquaculture fish ensures they meet the maximum residue limits required by countries or organizations. Therefore, this multiplex immunochromatog. strip biosensor is potentially applicable to the rapidly on-site determination of antibiotic residues in aquaculture fish. [graphic not available: see fulltext] 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 ring system has wide occurrence in nature as substituted and ring fused compounds and derivatives. 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.Computed Properties of C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia