Day: September 15, 2022

Reference of 3-CyanopyridineIn 2021, Milic, Mira;Targos, Karina;Tellez Chavez, Magda;Thompson, Madison A. M.;Jennings, Julia J.;Franz, Annaliese K. published 《NMR Quantification of Hydrogen-Bond-Accepting Ability for Organic Molecules》. 《Journal of Organic Chemistry》published the findings. The article contains the following contents:

The hydrogen-bond-accepting abilities for more than 100 organic mols. are quantified using ¹⁹F and ³¹P NMR spectroscopy with pentafluorobenzoic acid (PFBA) and phenylphosphinic acid (PPA) as com. available, inexpensive probes. Anal. of pyridines and anilines with a variety of electronic modifications demonstrates that changes in NMR shifts can predict the secondary effects that contribute to H-bond-accepting ability, establishing the ability of PFBA and PPA binding to predict electronic trends. The H-bond-accepting abilities of various metal-chelating ligands and organocatalysts are also quantified. The measured Δδ(³¹P) and Δδ_p(¹⁹F) values correlate strongly with Hammett parameters, pK_a of the protonated HBA, and proton-transfer basicity (pK_BH+). And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Reference of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

SDS of cas: 100-54-9In 2021, Kamiya, Yusuke;Omura, Asuka;Hayasaka, Riku;Saito, Rie;Sano, Izumi;Handa, Kentaro;Ohori, Junya;Kitajima, Masato;Shono, Fumiaki;Funatsu, Kimito;Yamazaki, Hiroshi published 《Prediction of permeability across intestinal cell monolayers for 219 disparate chemicals using in vitro experimental coefficients in a pH gradient system and in silico analyses by trivariate linear regressions and machine learning》. 《Biochemical Pharmacology (Amsterdam, Netherlands)》published the findings. The article contains the following contents:

For medicines, the apparent membrane permeability coefficients (Papp) across human colorectal carcinoma cell line (Caco-2) monolayers under a pH gradient generally correlate with the fraction absorbed after oral intake. Furthermore, the in vitro Papp values of 29 industrial chems. were found to have an inverse association with their reported no-observed effect levels for hepatotoxicity in rats. In the current study, we expanded our influx permeability predictions for the 90 previously investigated chems. to both influx and efflux permeability predictions for 207 diverse primary compounds, along with those for 23 secondary compounds Trivariate linear regression anal. found that the observed influx and efflux logPapp values determined by in vitro experiments significantly correlated with mol. weights and the octanol-water distribution coefficients at apical and basal pH levels (pH 6.0 and 7.4, resp.) (apical to basal, r = 0.76, n = 198; and basal to apical, r = 0.77, n = 202); the distribution coefficients were estimated in silico. Further, prediction accuracy was enhanced by applying a light gradient boosting machine learning system (LightGBM) to estimate influx and efflux logPapp values that incorporated 17 and 19 in silico chem. descriptors (r = 0.83-0.84, p < 0.001). The determination in vitro and/or prediction in silico of permeability coefficients across intestinal cell monolayers of a diverse range of industrial chems./food components/medicines could contribute to the safety evaluations of oral intakes of general chems. in humans. Such new alternative methods could also reduce the need for animal testing during toxicity assessment.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) also shows biological activity against autoimmune diseases, such as murine hepatitis, by inhibiting the proliferation of B cells and T cells.SDS of cas: 100-54-9 This drug is not effective against cancer cells because it does not inhibit DNA synthesis or protein synthesis.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of 3-CyanopyridineIn 2022, Lee, Jae Bin;Kim, Gun Ha;Jeon, Ji Hwan;Jeong, Seo Yeong;Lee, Soochan;Park, Jaehyun;Lee, Doyoung;Kwon, Youngkook;Seo, Jeong Kon;Chun, Joong-Hyun;Kang, Seok Ju;Choe, Wonyoung;Rohde, Jan-Uwe;Hong, Sung You published 《Rapid access to polycyclic N-heteroarenes from unactivated, simple azines via a base-promoted Minisci-type annulation》. 《Nature Communications》published the findings. The article contains the following contents:

Conventional synthetic methods to yield polycyclic heteroarenes have largely relied on metal-mediated arylation reactions requiring pre-functionalised substrates. However, the functionalization of unactivated azines has been restricted because of their intrinsic low reactivity. Herein, a transition-metal-free, radical relay π-extension approach to produce N-doped polycyclic aromatic compounds directly from simple azines and cyclic iodonium salts is reported. Mechanistic and ESR studies provide evidence for the in situ generation of organic electron donors, while chem. trapping and electrochem. experiments implicate an iodanyl radical intermediate serving as a formal biaryl radical equivalent This intermediate, formed by one-electron reduction of the cyclic iodonium salt, acts as the key intermediate driving the Minisci-type arylation reaction. The synthetic utility of this radical-based annulative π-extension method is highlighted by the preparation of an N-doped heptacyclic nanographene fragment through fourfold C-H arylation.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Safety of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Related Products of 80-32-0《A novel calibration strategy based on isotopic distribution for high-throughput quantitative analysis of pesticides and veterinary drugs using LC-HRMS》 was published in 2022. The authors were Sun, Feifei;Tan, Haiguang;Abdallah, Mohamed F.;Li, Yanshen;Zhou, Jinhui;Li, Yi;Yang, Shupeng, and the article was included in《Journal of Hazardous Materials》. The author mentioned the following in the article:

Preparation of calibration curves is a critical step for large-scale quantification. However, this procedure is time-consuming, labor intensive. Herein, a novel isotopologue multipoint calibration (IMC) strategy, was proposed and demonstrated for the simultaneous quantitation of 120 pesticides and 83 veterinary drugs in surface water samples using Liquid Chromatog.-High Resolution Mass Spectrometry (LC-HRMS). In this strategy, the natural isotopic distribution was used to generate external calibration curves, eliminating the need of analyst’s adjustment and many sets of chem. standard solutions required in external calibration curves. Addnl., this strategy was comprehensively validated, and the results indicated this strategy had better performance in both accuracy and precision, fully meeting the requirements for the quant. anal. Interestingly, for the samples with high concentration beyond the upper limit of quantitation, the IMC strategy could avoid samples dilution by monitoring the less abundant isotopic channels. Furthermore, the IMC method was successfully applied in the surface water samples collected from Anhui province, China. Among which, sulfamethoxazole and imidacoprid were the main contributors. In conclusion, we present a promising LC-HRMS strategy for the accurate quantitation of small mols., which has a potential application in food and environmental anal. The experimental procedure involved many compounds, such as 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) can be introduced in the drinking water to fabricate aqueous liquid formulations for combating bacterial and protozoal in animals.Related Products of 80-32-0 Besides, sulfachloropyridazine associated to tripelennamine hydrocholoride has been demonstrated to function as an anti-stress agent in poultry after vaccinations.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Lifan;Song, Xuyan;Qi, Mei-Fang;Sun, Bing published 《Weak Bronsted base-promoted photoredox catalysis for C-H alkylation of heteroarenes mediated by triplet excited diaryl ketone》. The research results were published in《Tetrahedron Letters》 in 2022.Application of 100-54-9 The article conveys some information:

A weak Bronsted base-promoted photoredox catalysis had been developed for the direct C-H α-alkylation of heteroarenes with cyclic and acyclic ethers. The high efficiency of this strategy was demonstrated by the mild reaction conditions, broad substrate scope, economical reagents and high regioselectivity. With air as the sole oxidant, a set of alkylated heteroarenes were accessed smoothly. This strategy was also applied for late-stage functionalization of valuable vitamin E nicotinate and loratadine.3-Cyanopyridine (cas: 100-54-9) were involved in the experimental procedure.

3-Cyanopyridine(cas: 100-54-9) also shows biological activity against autoimmune diseases, such as murine hepatitis, by inhibiting the proliferation of B cells and T cells.Application of 100-54-9 This drug is not effective against cancer cells because it does not inhibit DNA synthesis or protein synthesis.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Reference of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideIn 2022, Zhu, Xinzhe;He, Mingjing;Sun, Yuqing;Xu, Zibo;Wan, Zhonghao;Hou, Deyi;Alessi, Daniel S.;Tsang, Daniel C. W. published 《Insights into the adsorption of pharmaceuticals and personal care products (PPCPs) on biochar and activated carbon with the aid of machine learning》. 《Journal of Hazardous Materials》published the findings. The article contains the following contents:

The science-informed design of green carbonaceous materials (e.g., biochar and activated carbon) with high removal capacity of recalcitrant organic contaminants (e.g., pharmaceuticals and personal care products (PPCPs)) is indispensable for promoting sustainable wastewater treatment. In this study, machine learning (ML) incorporating PPCPs and biochar properties as well as adsorption conditions were applied to build adsorption prediction models and explore the contributions of various biochars inherent properties to their PPCPs adsorption capacity. The results demonstrated that the models developed by detailed biochar properties (e.g., surface functionality and hierarchical porous structure) from advanced microscopic and spectroscopic techniques were more accurate (i.e., the root-mean-square error decreased by 18-24%) than those by general information such as bulk elemental composition and total pore volume The relative importance of surface carbon functionalities ranked in the order of C-O bond > C=O bond > non-polar carbon for predicting the adsorption capacity. According to the partial dependence anal., the average pore diameters of adsorbents that were larger than the maximum diameter of PPCPs mols. by 1.5-fold to 2.5-fold favored the PPCPs adsorption. This study reveals new insights into the adsorption of PPCPs and provides a comprehensive reference for the sustainable engineering of biochar adsorbents for PPCPs wastewater treatment. The experimental procedure involved many compounds, such as 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) is a sulfonamide antibiotic that is usually used as antibacterial anti-inflammatory drug, which has been applied in the treatment of acute urinary tract infections in childhood.Reference of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideDue to its antibiotic activity, this chemical has been selected as an ingredient to prepare antibacterial composition.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Gezegen, Hayreddin;Guerdere, Meliha B.;Dincer, Ayseguel;Oezbek, Oguz;Kocyigit, Uemit M.;Taslimi, Parham;Tuezuen, Burak;Budak, Yakup;Ceylan, Mustafa published 《Synthesis, molecular docking, and biological activities of new cyanopyridine derivatives containing phenylurea》 in 2021. The article was appeared in 《Archiv der Pharmazie (Weinheim, Germany)》. They have made some progress in their research.Reference of 3-Cyanopyridine The article mentions the following:

A new class of cyanopyridine derivatives containing the phenylurea unit was synthesized and tested against some metabolic enzymes including acetylcholinesterase (AChE), butyrylcholinesterase (BChE), and α-glycosidase (α-Gly). The new cyanopyridine derivatives showed K_i values in the range of 40.73 ± 6.54 to 87.05 ± 16.98μM against AChE, 29.17 ± 4.88 to 124.03 ± 22.43μM against BChE, and 3.66 ± 0.93 to 26.33 ± 5.05μM against α-Gly. These inhibition effects were compared with standard enzyme inhibitors like tacrine (for AChE and BChE) and acarbose (for α-Gly). Also, these cyanopyridine derivatives with the best inhibition score were docked into the active site of the indicated metabolic enzymes. Finally, mol. docking calculations were made to compare the biol. activities of the compounds against AChE (-8.81 kcal/mol for mol. 11d, I), BChE (-3.52 kcal/mol for mol. 11d), and α-Gly (-2.98 kcal/mol for mol. 11a, II). After mol. docking calculations, the ADME/T anal. was performed to examine the future drug use properties of the new cyanopyridine derivatives containing phenylurea. And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Reference of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Quality Control of 3-CyanopyridineIn 2021, Wang, Chang-Sheng;Sun, Qiao;Garcia, Felipe;Wang, Chen;Yoshikai, Naohiko published 《Cobalt-catalyzed intermolecular [2 + 2 + 2] cycloaddition of nitriles and alkynes: facile synthesis of polyarylpyridines and their mechanochemical cyclodehydrogenation to nitrogen-containing polyaromatics》. 《Angewandte Chemie, International Edition》published the findings. The article contains the following contents:

The transition-metal-catalyzed [2+2+2] cycloaddition of nitriles and alkynes is an established synthetic approach to pyridines; however, these cycloadditions often rely on the use of tethered diynes or cyanoalkynes as one of the reactants. Thus, examples of efficient, fully intermol. catalytic [2+2+2] pyridine synthesis, especially those employing unactivated nitriles and internal alkynes leading to pentasubstituted pyridines, remain scarce. Herein, we report on simple and inexpensive catalytic systems based on cobalt(II) iodide, 1,3-bis(diphenylphosphino)propane, and Zn that promote [2+2+2] cycloaddition of various nitriles and diarylacetylenes for the synthesis of a broad range of polyarylated pyridines. DFT studies support a reaction pathway involving oxidative coupling of two alkynes, insertion of the nitrile into a cobaltacyclopentadiene, and C-N reductive elimination. The resulting tetra- and pentaarylpyridines serve as precursors to hitherto unprecedented nitrogen-containing polycyclic aromatic hydrocarbons via mechanochem. assisted multifold reductive cyclodehydrogenation. Transition metal-catalyzed [2 + 2 + 2] cycloaddition of nitriles and alkynes has been extensively developed as a straightforward and atom-economical synthetic approach to pyridines over the last several decades using various transition metal catalysts, both precious and non-precious. Despite this long history, cycloadditions of this type have often relied on the use of tethered diyne or cyanoalkyne as one of the reactants. Thus, examples of efficient, fully intermol. catalytic [2 + 2 + 2] pyridine synthesis, especially those employing unactivated nitriles and internal alkynes leading to pentasubstituted pyridines, remain scarce. Herein, we report on simple and inexpensive catalytic systems based on cobalt(II) iodide, 1,3-bis(diphenylphosphino)propane, and Zn that promote [2 + 2 + 2] cycloaddition of various nitriles and diarylacetylenes without using a large excess of the nitrile. The present systems allow for the synthesis of broad range of polyarylated pyridines, many of which have not been previously accessed by the [2 + 2 + 2] manifold. Computational studies have supported a reaction pathway involving oxidative coupling of two alkynes, insertion of the nitrile into cobaltacyclopentadiene, and C-N reductive elimination, while shedding light on stepwise nature of the oxidative coupling and insertion processes. We also demonstrate that tetra- and pentaarylpyridines can serve as precursors to hitherto unprecedented nitrogen-containing polycyclic aromatic hydrocarbons via mechanochem. assisted multifold reductive cyclodehydrogenation. And 3-Cyanopyridine (cas: 100-54-9) was used in the research process.

3-Cyanopyridine(cas: 100-54-9) has been shown to have a number of pharmacological effects: it inhibits the production of prostaglandin E2 and nitric oxide in congestive heart failure patients; it prevents the formation of diazonium salt from benzene and nitrogen dioxide; it inhibits the growth of tumor cell lines; and it protects mice from radiation injury by scavenging reactive oxygen species. Quality Control of 3-Cyanopyridine

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hajrulai-Musliu, Zehra;Uzunov, Risto;Jovanov, Stefan;Jankuloski, Dean;Stojkovski, Velimir;Pendovski, Lazo;Sasanya, James Jacob published 《A new LC-MS/MS method for multiple residues/contaminants in bovine meat》 in 2021. The article was appeared in 《BMC Chemistry》. They have made some progress in their research.Formula: C10H9ClN4O2S The article mentions the following:

A multi-class and multi-residue/contaminant method for the determination of veterinary drug and pesticide residues and mycotoxins in bovine meat has been developed and validated. The veterinary drug residues/contaminants included antimicrobials, anabolic hormones, lactones, β-agonists, mycotoxins, and pesticides. Isotopic labeled internal standards were included to compensate residual matrix effects. The calibrators used in the method demonstrated linearity with the R2 > 0.98. The decision limit (CCα) values were in the range from 0.067 to 2103.84μg/kg, while the range for detection capability (CCβ) was from 0.083 to 2482.13μg/kg. The limit of detection (LOD) and limit of quantification (LOQ) were in the range from 0.059 to 291.36μg/kg, and 0.081 to 328.13μg/kg, resp. The recovery of analytes ranged from 61.28% to 116.20%. The intra-day coefficient of variation (CV) was from 0.97 to 25.93% and the inter-day CV was 2.30-34.04%. The method has been used for the determination of 49 residues/contaminants in bovine meat. Application of the method in routine anal. in bovine samples, revealed in limited samples the presences of enrofloxacin, oxytetracycline and sulfadiazine at the concentration of 35.22μg/kg, 27.35μg/kg, and 36.20μg/kg, resp. And 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) was used in the research process.

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) can be introduced in the drinking water to fabricate aqueous liquid formulations for combating bacterial and protozoal in animals.Formula: C10H9ClN4O2S Besides, sulfachloropyridazine associated to tripelennamine hydrocholoride has been demonstrated to function as an anti-stress agent in poultry after vaccinations.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Quality Control of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideIn , Liu, Jing;Deng, Wen-Jing;Ying, Guang-Guo;Tsang, Eric P. K.;Hong, Hua-Chang published 《Occurrence and distribution of antibiotics in surface water》. 《Ecotoxicology》published the findings. The article contains the following contents:

The concentrations, distribution, and ecol. risks of 24 typical antibiotics in Hong Kong rivers and seawater were investigated using high-performance liquid chromatog. coupled with electrospray ionization tandem mass spectrometry (UHPLC-EI-MS/MS). The results showed that the select antibiotics were widely distributed in the study area. Among the target antibiotics, the detection rate of tetracyclines (TCs) was 100%, which indicated the widespread use of TCs in Hong Kong. The detection rates of sulfonamides (SAs) (57.1-100%), fluoroquinolones (FQs) (78.6-100%), roxithromycin (RTM) (50%) and novobiocin (NOV) (50%) were all above 50%. Compared with river water (7.9-114.26 ng/L, medium: 27.7 ng/L), concentrations of the most antibiotics in seawater (9.5-32.0 ng/L, medium: 13.3 ng/L) were lower; seawater concentrations were similar to those reported from other coastal cities, such as Guangzhou and Zhuhai in China, which implied that the source of marine antibiotic pollution may be the nearby rivers, and the vastness of the ocean causes environmental dilution of antibiotics. According to the ratio of the measured environmental concentration (MEC) to the predicted no-effect concentration (PNEC), ofloxacin (OFX) (average risk quotient: 1.94E-01) and ciprofloxacin (CFX) (average risk quotient: 3.53E-01) posed medium to high ecol. risk in most places, whereas other antibiotics posed lower risk. In Yuen Long, where there were many livestock farms nearby, the detected concentration of antibiotics was higher, indicating that livestock wastewater may be the major reason for the increase in antibiotic levels in this area. In general, the detected concentration of antibiotics in Hong Kong was lower than that in the United States, Japan, the United Kingdom, and coastal areas of China, but the long-term existence of low concentrations of antibiotics also poses great risks. According to the risk assessment, Hong Kong should pay more attention to the use of FQs (e.g., OFX and CFX) in the future. The experimental procedure involved many compounds, such as 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide (cas: 80-32-0) .

4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamide(cas: 80-32-0) is a sulfonamide antibiotic that is usually used as antibacterial anti-inflammatory drug, which has been applied in the treatment of acute urinary tract infections in childhood.Quality Control of 4-Amino-N-(6-chloropyridazin-3-yl)benzenesulfonamideDue to its antibiotic activity, this chemical has been selected as an ingredient to prepare antibacterial composition.

Reference:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem