Day: December 30, 2022

Occurrence and distribution of antibiotics and antibiotic resistance genes in water of Liaohe River Basin, China was written by Gao, Hui;Zhao, Fuqiang;Li, Ruijing;Jin, Shuaichen;Zhang, Haibo;Zhang, Keyu;Li, Shisheng;Shu, Qin;Na, Guangshui. And the article was included in Journal of Environmental Chemical Engineering in 2022.HPLC of Formula: 1220-83-3 This article mentions the following:

Surface water environment is an important repository of antibiotics and antibiotic resistance genes (ARGs). It is of great significance to study the occurrence and distribution of antibiotics and ARGs in surface water environment. In this study, the Liaohe River Basin, China was taken as the study area, and the concentrations of antibiotics and ARGs in water were investigated by HPLC-MS/MS and HT-qPCR. The results showed that a total of 53 antibiotics of 6 types were detected in water, and the pollution level was at ND∼331.64 ng/L, where PCG was the highest. Totally 164 ARGs and 10 mobile genetic elements (MGEs) were detected in the water, and the absolute abundances were at 2.18 × 10⁴∼3.95 × 10⁷ copies/L and 1.82 × 10⁵-3.78 × 10⁷ copies/L, resp. The multidrug and aminoglycoside were the dominant ARG types. Amoxicillin, erythromycin, anhydroerythromycin and ofloxacin posed certain ecol. risks for sensitive aquatic organisms. In spatial distribution, the pollution of antibiotics and ARGs in the Daliao River system was higher than that in the Liaohe River system. There was a significant pos. correlation between total concentrations of antibiotics and total relative abundance of ARGs (r = 0.66, p < 0.05). The co-occurrence of multiple antibiotics promoted the pollution and spread of ARGs. In addition, the total relative abundance of MGEs and ARGs showed a significant pos. correlation (r = 0.946, p < 0.01), and MGEs played an important role in the occurrence and evolution of ARGs in water. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3HPLC of Formula: 1220-83-3).

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. 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.HPLC of Formula: 1220-83-3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Environmental antibiotics exposure in school-age children in Shanghai and health risk assessment: A population-based representative investigation was written by Zhang, Yu;Tang, Weifeng;Wang, Yuqing;Nian, Min;Jiang, Fan;Zhang, Jun;Chen, Qian. And the article was included in Science of the Total Environment in 2022.Formula: C11H12N4O3S This article mentions the following:

The widespread use of antibiotics has left extensive residues in the environment and food. Antibiotics can accumulate in human body. As the potential health risks of antibiotic exposure in children are of a great concern in recent years, our study aimed to describe the status of antibiotic exposure in primary school students in Shanghai, China, and to explore the relationships of dietary patterns with internal antibiotic levels. The Shanghai Children’s Health, Education, and Lifestyle Evaluation (SCHEDULE) Survey was a cross-sectional study with a staged, cluster random sample of all primary school students in Shanghai, China. In the present study, we randomly selected 2199 children aged 6-12 years old. A total of 10 antibiotics in urine samples were measured by liquid chromatog.-tandem mass spectrometry. Multivariable survey logistic regression models were used to investigate dietary patterns associated with detection rates of antibiotics. The detection rates of individual antibiotics ranged from 4.3% to 30.7%. 68.7% of children were exposed to at least one antibiotic. There was a significant difference in child exposure to overall antibiotics by residential locations (60.9% in urban vs. 71.1% in suburban areas). Principal component analyses suggested that higher unhealthy dietary pattern scores were significantly associated with increased detection rates of tetracyclines [1.27 (95% CI: 1.18, 1.38)] and sulfonamides [1.20 (95% CI: 1.05, 1.36)]. In addition, 9.05% of children had a hazard index (HI) value greater than 1, which was mainly contributed by ciprofloxacin. School-age children were widely exposed to antibiotics in Shanghai. Unhealthy diet was associated with a higher level of antibiotic exposure. 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. Pyrimidine is an aromatic heterocyclic organic compound similar to pyridine. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Microwave-expedited one-pot, two-component, solvent-free synthesis of functionalized pyrimidines was written by Goswami, Shyamaprosad;Jana, Subrata;Dey, Swapan;Adak, Avijit Kumar. And the article was included in Australian Journal of Chemistry in 2007.Electric Literature of C16H13N3 This article mentions the following:

The synthesis of a series of diversely substituted pyrimidines under solvent-free conditions in good yields is described. Under microwave irradiation, a variety of nucleophilic substrates containing the N-C-N unit with β-dicarbonyl compounds, Et cyanoacetate, malononitrile, and chalcones was cyclized to give pyrimidines. A combinatorial type approach for a one-step synthesis was developed where a ring-closing condensation is followed by spontaneous aromatization to afford 28 functionalized and aryl/alkyl-substituted pyrimidines. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Electric Literature of C16H13N3).

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. Drugs having the pyrimidine motif have manifested to exhibit gratifying biological activity like anticancer, antiviral, anti-inflammatory, antibacterial, and antihypertensive activities.Electric Literature of C16H13N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Typical antibiotic exposure and dysglycemia risk in an elderly Chinese population was written by Yu, Shuixin;Kong, Li;Gu, Lvfen;Zhu, Yitian;Liu, Xinji;Sang, Yanru;Wang, Qunan;Wang, Sufang;Zhang, Dongmei;Cao, Hongjuan;Tao, Fangbiao;Liu, Kaiyong. And the article was included in Environmental Science and Pollution Research in 2022.Quality Control of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Studies examined the connection between antibiotic exposure in urine and dysglycemia risk (including prediabetes and diabetes) in the elderly were limited. Multiple linear regression, binary logistic regression, restricted cubic splines (RCS), and stratified anal. were applied to analyze the relationship between antibiotic exposure and dysglycemia risk. We observed that sulfaclozine exposure 0.07 (95% confidence interval [CI]: 0.01-0.23) significantly increased fasting blood glucose (FBG) level. By mechanism, usage, and antimicrobial action, sulfonamides 0.08 (95% CI: 0.06-0.36), veterinary antibiotics (VA) 0.07 (95% CI: 0.01-0.30), or bacteriostatic antibiotics 0.07 (95% CI: 0.02-0.29) significantly increased FBG level. Addnl., sulfaclozine exposure 1.54 (95% CI: 1.02-2.33) resulted in a higher dysglycemia risk, while doxycycline exposure 0.53 (95% CI: 0.30-0.95) resulted in a lower dysglycemia risk. By mechanism, usage, and antimicrobial action, sulfonamides 1.44 (95% CI: 1.02-2.04), VA 1.68 (95% CI: 1.21-2.35), or bacteriostatic antibiotics 1.40 (95% CI: 1.02-1.93) exposure had a higher dysglycemia risk. Taken together, exposure to sulfonamides, VA, especially sulfaclozine, was correlated with a higher dysglycemia risk in the elderly. Exposure to bacteriostatic antibiotics was associated with a higher dysglycemia risk in the female. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Quality Control 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. 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. 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.Quality Control of 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Degradation mechanism and QSAR models of antibiotic contaminants in soil by MgFe-LDH engineered biochar activating urea-hydrogen peroxide was written by Chen, Qincheng;Cheng, Zhiwen;Li, Xiaoying;Wang, Chen;Yan, Lili;Shen, Guoqing;Shen, Zhemin. And the article was included in Applied Catalysis, B: Environmental in 2022.Formula: C11H12N4O3S This article mentions the following:

Developing an in-situ soil remediation technol. for simultaneous catalytic degradation of contaminants and nitrogen supplementation is of great importance but remains challenging. Herein, MgFe-LDH engineered biochar (MB) was successfully synthesized by using a simple co-precipitation method. The as-prepared materials were used as catalysts for the first time to activate urea-hydrogen peroxide (UHP) to degrade antibiotic sulfamethoxazole (SMX) and provide nitrogen. The enhanced degradation efficiency of SMX (91%) were mainly attributed to •OH and ¹O₂-mediated oxidation Pot experiments showed MB/UHP significantly decreased the SMX concentration from 6.47 to 2.10 mg kg^-1 and simultaneously increased NH⁺₄-N and NO^–₃-N concentration The optimal quant.-structure-activity-relationship model for 19 antibiotics suggested the dipole moment, energy of the HOMO, and bond order were the intrinsic influencing factors. This study not only provides a green remediation technol. but also offers a theor. basis for estimating the removal rate of unexplored antibiotics. 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. 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.Formula: C11H12N4O3S

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core was written by Tice, Colin M.;Noto, Paul B.;Fan, Kristi Yi;Zhao, Wei;Lotesta, Stephen D.;Dong, Chengguo;Marcus, Andrew P.;Zheng, Ya-Jun;Chen, Guozhou;Wu, Zhongren;Van Orden, Rebecca;Zhou, Jing;Bukhtiyarov, Yuri;Zhao, Yi;Lipinski, Kerri;Howard, Lamont;Guo, Joan;Kandpal, Geeta;Meng, Shi;Hardy, Andrew;Krosky, Paula;Gregg, Richard E.;Leftheris, Katerina;McKeever, Brian M.;Singh, Suresh B.;Lala, Deepak;McGeehan, Gerard M.;Zhuang, Linghang;Claremon, David A.. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2016.Quality Control of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate This article mentions the following:

Liver X receptor (LXR) agonists have been reported to lower brain amyloid beta (Aβ) and thus to have potential for the treatment of Alzheimer’s disease. Structure and property based design led to the discovery of a series of orally bioavailable, brain penetrant LXR agonists. Oral administration of compound 18 to rats resulted in significant upregulation of the expression of the LXR target gene ABCA1 in brain tissue, but no significant effect on Aβ levels was detected. In the experiment, the researchers used many compounds, for example, Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (cas: 187035-79-6Quality Control of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate).

Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate (cas: 187035-79-6) 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.Quality Control of Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Rapid determination of multi-antibiotic residues in honey based on modified QuEChERS method coupled with UPLC-MS/MS was written by Yang, Yan;Lin, Guobing;Liu, Lijing;Lin, Tainan. And the article was included in Food Chemistry in 2022.Name: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide This article mentions the following:

Antibiotic residues in honey cause public health problems. To analyze multi-antibiotic residues in honey, a modified QuEChERS (quick, easy, cheap, effective, rugged and safe) extraction method coupled with ultra-performance liquid chromatog. tandem mass spectrometry (UPLC-MS/MS) was developed for simultaneous quantification of 70 antibiotic residues in honey. Matrix-matched calibrations indicated the correlation coefficients were higher than 0.998. The recovery was in a range of 70.5%-119.8% with intra-day relative standard deviation (RSD) of ≤ 10.0% and inter-day RSD of ≤ 13.9%. The limits of detection ranged between 0.050 μg/kg and 1.02 μg/kg. Limits of quantification was 0.17 μg/kg to 3.40 μg/kg. The matrix effects were negligible in 71.4% of compounds and moderately in 24.3% of compounds Methacycline, oxytetracycline, tetracycline and its metabolite 4-tetracycline residues were detected in the tested samples. Validation parameters were acceptable and were in line with the Codex guidelines. This method was effective for detecting multi-antibiotic residues in honey. In the experiment, the researchers used many compounds, for example, 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide (cas: 1220-83-3Name: 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. 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.Name: 4-Amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Synthesis of Pyrimidinyl Benzazolyl Urea Derivatives as Antimicrobial and Antioxidant Agents was written by Hussain Basha, N.;Narendra Babu, K.;Siva Shanker, P.;Dinneswara Reddy, G.;Padmaja, A.;Padmavathi, V.. And the article was included in Polycyclic Aromatic Compounds.Electric Literature of C16H13N3 This article mentions the following:

A library of pyrimidinyl benzazolyl urea derivatives were synthesized from pyrimidine-2-amine and Me benzazolylcarbamate in the presence of potassium tert-butoxide in DMF. The compounds with benzothiazolyl and benzimidazolyl moieties having chloro and nitro substituents on the aromatic ring exhibited prominent antibacterial activity against Bacillus subtilus. Nitro substituted pyrimidinyl benzothiazolyl urea and pyrimidinyl benzimidazolyl urea displayed prominent antifungal activity against Asperigellus niger. The compounds with benzoxazole moiety showed greater radical scavenging activity than those with benzothiazole and benzimidazole units. In the experiment, the researchers used many compounds, for example, 4,6-Diphenylpyrimidin-2-amine (cas: 40230-24-8Electric Literature of 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. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Electric Literature of C16H13N3

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

Imidazopyridazine Hepatitis C Virus Polymerase Inhibitors. Structure-Activity Relationship Studies and the Discovery of a Novel, Traceless Prodrug Mechanism was written by Leivers, Martin;Miller, John F.;Chan, Stephanie A.;Lauchli, Ryan;Liehr, Sebastian;Mo, Wenyan;Ton, Tony;Turner, Elizabeth M.;Youngman, Michael;Falls, J. Greg;Long, Susan;Mathis, Amanda;Walker, Jill. And the article was included in Journal of Medicinal Chemistry in 2014.Synthetic Route of C6H6N2O2 This article mentions the following:

By reducing the basicity of the core heterocycle in a series of HCV NS5B inhibitors, the hERG liability was reduced. The SAR was then systematically explored to increase solubility and enable dose escalation while retaining potency. During this exploration, a facile decarboxylation was noted and was exploited as a novel prodrug mechanism. The synthesis and characterization of these prodrugs and their utilization in chronic toxicity studies are presented. In the experiment, the researchers used many compounds, for example, 2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1Synthetic Route of C6H6N2O2).

2-Methoxypyrimidine-5-carbaldehyde (cas: 90905-32-1) 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.Synthetic Route of C6H6N2O2

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia

SAR Optimization studies on a novel series of 2-anilinopyrimidines as selective inhibitors against triple-negative breast cancer cell line MDA-MB-468 was written by Jo, Jeyun;Kim, Heegyu;Oh, Ji Youn;Kim, Soyeong;Park, Yeong Hye;Choi, Hyeonjin;Jeong, Jee-Yeong;Jung, Young-Suk;Yun, Hwayoung. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2019.SDS of cas: 62968-37-0 This article mentions the following:

Two series of 2-anilinopyrimidines I [R¹ = pyrrol-1-yl, indol-1-yl, 4-Me-piperidin-1-yl; R² = NMe₂, morpholin-4-yl, thiomorpholin-4-yl, piperidin-1-yl] and II [R³ = methoxy, cyclohexyl; R⁴ = indol-1-yl, pyrrolidin-1-yl, 4-Cl-piperidin-1-yl, etc.] as a selective inhibitors of the basal-like TNBC cell line MDA-MB-468 were reported. An extensive anal. of structure-activity relationships of the analogs I and II revealed that aminoalkyl groups at the end of the Pr chain are amenable to modification. Compound II [R³ = cyclohexyl; R⁴ = 4-Cl-piperidin-1-yl] was found to be the most potent and selective and was about three times more potent and selective than I [R¹ = 4-Me-piperidin-1-yl; R² = piperidin-1-yl] was against the TNBC cells. In the experiment, the researchers used many compounds, for example, 4-(2-Chloropyrimidin-4-yl)morpholine (cas: 62968-37-0SDS of cas: 62968-37-0).

4-(2-Chloropyrimidin-4-yl)morpholine (cas: 62968-37-0) belongs to pyrimidine derivatives. The pyrimidine nitrogenous bases are derived from the organic compound pyrimidine through the addition of various functional groups. Therapy for fungal infections is based mainly on four classes of antifungals: azoles, echinocandins, polyenes, and pyrimidine analogs.SDS of cas: 62968-37-0

Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia