Day: November 29, 2022

Duan, Gongping published the artcileSynthesis and photochromic studies of η6-mesitylene ruthenium(ii) complexes bearing N-heterocyclic carbene ligands with the dithienylethene moiety, Computed Properties of 17117-13-4, the main research area is dithienylethene imidazolidene carbene ruthenium mesitylene half sandwich preparation structure; photochromic mesitylene ruthenium heterocyclic carbene dithienylethene complex; crystal mol structure mesityleneruthenium dithienylethene imidazolidene carbene complex; electrochem redox mesityleneruthenium dithienylethene imidazolidene carbene half sandwich.

A series of half-sandwich type ruthenium(ii) complexes, [(η6-mesitylene)Ru(NHC-L)Cl]PF6 (NHC = N-heterocyclic carbene, L = azole and imine ligand), containing the dithienylethene moiety has been synthesized and characterized by 1H NMR, x-ray crystallog. and electronic absorption spectroscopy. These complexes show photochromic properties upon UV photo-irradiation to generate the closed forms of the dithienylethene moiety.

New Journal of Chemistry published new progress about Crystal structure. 17117-13-4 belongs to class pyridine-derivatives, name is 2-Bromo-4-ethoxypyridine, and the molecular formula is C7H8BrNO, Computed Properties of 17117-13-4.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Schlosser, Manfred published the artcileThe reactivity of 2-fluoro- and 2-chloropyridines toward sodium ethoxide: Factors governing the rates of nucleophilic (het)aromatic substitutions, Related Products of pyridine-derivatives, the main research area is reactivity fluoropyridine chloropyridine sodium ethoxide nucleophilic aromatic heteroaromatic substitution.

The relative displacement rates of the halide substituent from 2-fluoro- and 2-chloropyridines by EtONa in EtOH at +25° were assessed by competition kinetics. The 2-fluoropyridine reacts 320 times faster than the chloro analog. A CF3 group increases the reactivity more than single halogen atoms do, whatever the element, and the latter are superior to Me3Si groups. Substituents accommodated at the 4-position operate through their inductive effect, whereas at the 3-position, this action may be attenuated by steric hindrance. Almost all 5-substituents enhance the rate of the nucleophilic substitution occurring at the 2-position. The sole exception concerns the F-atom at the 5-position which retards the reaction, presumably by lone-pair/lone-pair repulsion with the neg. charge building up at the central C-atom of the intermediate Meisenheimer complex. The substituent effects are additive. Therefore, by using the increments derived from the present work, the rates of future reactions should be predictable with fair accuracy.

Helvetica Chimica Acta published new progress about Ethoxylation kinetics. 42144-78-5 belongs to class pyridine-derivatives, name is 2-Chloro-6-ethoxypyridine, and the molecular formula is C7H8ClNO, Related Products of pyridine-derivatives.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Choi, Peter J. published the artcileSynthesis and evaluation of analogues of the tuberculosis drug bedaquiline containing heterocyclic B-ring units, HPLC of Formula: 71255-09-9, the main research area is bedaquiline analog antituberculosis thiophene furan pyridine; mol structure biol activity; Bedaquiline; Bedaquiline analogues; Drug development; Tuberculosis.

Analogs of bedaquiline (I) where the Ph B-unit was replaced with monocyclic heterocycles of widely differing lipophilicity (thiophenes, furans, pyridines) were synthesized and evaluated. While there was an expected broad pos. correlation between lipophilicity and anti-TB activity, the 4-pyridyl derivatives appeared to have an addnl. contribution to antibacterial potency. The majority of the compounds were (desirably) more polar and had higher rates of clearance than bedaquiline, and showed acceptable oral bioavailability, but there was only limited (and unpredictable) improvement in their hERG liability.

Bioorganic & Medicinal Chemistry Letters published new progress about Pyridines Role: PAC (Pharmacological Activity), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses). 71255-09-9 belongs to class pyridine-derivatives, name is 2-Methoxynicotinaldehyde, and the molecular formula is C7H7NO2, HPLC of Formula: 71255-09-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rosenberg, Adam J. published the artcileSynthesis of Imidazo[4,5-b]pyridines and Imidazo[4,5-b]pyrazines by Palladium Catalyzed Amidation of 2-Chloro-3-amino-heterocycles, Application In Synthesis of 133627-45-9, the main research area is heterocyclic compound imidazopyridine imidazopyrazine preparation; pentosidine natural product model system preparation; mutagen phenylimidazopyridinamine methyl preparation; carboxylic amide coupling reaction chloropyridine chloropyrazine.

A facile synthesis of imidazo[4,5-b]pyridines and -pyrazines is described using a Pd-catalyzed amide coupling reaction. This reaction provides quick access to products with substitution at N1 and C2. A model system relevant to the natural product pentosidine (I) has been demonstrated, as well as the total synthesis of the mutagen 1-Me-5-PhIP (II).

Organic Letters published new progress about Cross-coupling reaction. 133627-45-9 belongs to class pyridine-derivatives, name is 2-Chloro-4-methylpyridin-3-amine, and the molecular formula is C6H7ClN2, Application In Synthesis of 133627-45-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Byun, Seunghwan published the artcileFluoro-imidazopyridinylidene Ruthenium Catalysts for Cross Metathesis with Ethylene, Synthetic Route of 24484-93-3, the main research area is fluoro imidazopyridinylidene ruthenium preparation catalyst alkene metathesis ethylene; crystal structure fluoro imidazopyridinylidene ruthenium preparation catalyst ethenolysis iridium; mol structure fluoro imidazopyridinylidene ruthenium preparation catalyst ethenolysis iridium; imidazopyridinylidene fluoro NHC preparation frontier MO ruthenium selenium iridium.

Ru metathesis catalysts bearing fluorinated imidazo[1,5-a]pyridin-3-ylidene carbenes (F-ImPy) were developed for ethenolysis (cross metathesis with ethylene) of Me oleate. X-ray crystal structure anal. shows Ru-F interaction, and this F substitution appears to be pivotal to have stable ImPy-Ru precatalysts. Ligand structure was varied for high catalyst activity and cross metathesis selectivity in ethenolysis reaction. F-ImPy-Ru catalysts showed high selectivity in ethenolysis of Me oleate and thermal robustness under an ethylene atm.

Organometallics published new progress about Carbene complexes, N-heterocyclic, transition metal complexes Role: CAT (Catalyst Use), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), USES (Uses), RACT (Reactant or Reagent), PREP (Preparation). 24484-93-3 belongs to class pyridine-derivatives, name is Methyl 4-chloropicolinate, and the molecular formula is C7H6ClNO2, Synthetic Route of 24484-93-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Shen, Xiao published the artcileSevere adverse cutaneous reactions induced by gefitinib combined with antihypertensive and antihyperlipidemic drugs in lung cancer: a case report, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the main research area is severe adverse cutaneous reaction induced gefitinib antihypertensive antihyperlipidemic lungcancer.

The incidence of lung cancer is increasing yearly worldwide, and targeted medicines are the main choice for lung cancer patients. However, there has been no relevant research about the anal. and adjustment of drug combinations for cancer patients with hypertension and hyperlipidemia until now. Here, we reported a case of medicine adjustment for a patient of lung cancer with hypertension and hyperlipidemia. The patient was diagnosed as right lung adenocarcinoma with lymph node metastasis and continued taking gefitinib tablets to maintain therapeutic efficacy after the end of chemotherapy. Severe paronychia and a high plasma concentration of gefitinib were noticed when the patient visited the hospital for reexamination The clin. pharmacist found that the patient took nifedipine sustained-release tablets and simvastatin tablets simultaneously, and these medicines were all substrates of CYP3A4. The clin. pharmacist suggested replacing the medicines for hypertension and hyperlipidemia with valsartan capsules (Diovan) and rosuvastatin calcium tablets (Crestor), resp. The adverse cutaneous reactions were greatly relieved, and the plasma concentration of gefitinib was decreased when another reexamination was performed. Therapeutic drug monitoring was an important method in our case and provided valuable information to develop individualized treatment strategies. For cancer patients suffering from other diseases such as hypertension and hyperlipidemia, it is necessary to pay special attention to the drug-drug interactions and metabolic pathways among drug combinations.

Anti-Cancer Drugs published new progress about Antihypertensives. 21829-25-4 belongs to class pyridine-derivatives, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Williams, Dominic P. published the artcilePredicting Drug-Induced Liver Injury with Bayesian Machine Learning, HPLC of Formula: 72509-76-3, the main research area is machine learning drug liver toxicity prediction risk assessment.

Drug induced liver injury (DILI) can require significant risk management in drug development, and on occasion can cause morbidity or mortality, leading to drug attrition. Optimizing candidates preclinically can minimise hepatotoxicity risk but it is difficult to predict due to multiple etiologies encompassing DILI, often with multifactorial and overlapping mechanisms. In addition to epidemiol. risk factors, physicochem. properties, dose, disposition, lipophilicity, and hepatic metabolic function are also relevant for DILI risk. Better human relevant, predictive models are required to improve hepatotoxicity risk assessment in drug discovery. The authors’ hypothesis is that integrating mechanistically relevant hepatic safety assays with Bayesian machine learning will improve hepatic safety risk prediction. The authors present a quant. and mechanistic risk assessment for candidate nomination using data from in vitro assays (hepatic spheroids, BSEP, mitochondrial toxicity and bioactivation), together with physicochem. (cLogP) and exposure (Cmaxtotal) variables from a chem. diverse compound set (33 no/low-, 40 medium- and 23 high-severity DILI compounds). The Bayesian model predicts the continuous underlying DILI severity and uses a data-driven prior distribution over the parameters to prevent overfitting. The model quantifies the probability that a compound falls into either no/low, medium, or high-severity categories, with a balanced accuracy of 63% on held-out samples, and a continuous prediction of DILI severity along with uncertainty in the prediction. For a binary yes/no DILI prediction, the model has a balanced accuracy of 86%, a sensitivity of 87%, a specificity of 85%, a pos. predictive value of 92%, and a neg. predictive value of 78%. Combining physiol. relevant assays, improved alignment with FDA recommendations, and optimal statistical integration of assay data, leads to improved DILI risk prediction.

Chemical Research in Toxicology published new progress about Biotransformation. 72509-76-3 belongs to class pyridine-derivatives, name is 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C18H19Cl2NO4, HPLC of Formula: 72509-76-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ross, John H. published the artcileStructure-activity correlations of amines inhibiting active uptake of paraquat (methyl viologen) into rat lung slices, Formula: C26H42Br2N2, the main research area is paraquat uptake lung amine.

Anal. of amine structure with respect to inhibitory potency utilized a new method for determining equipotent inhibitor concentrations of paraquat dichloride (I dichloride) [1910-42-5] uptake by lung slices. Fifteen N-alkyl homologs of I (viologens) were tested and inhibition of lung uptake of I was a function of the inductive effect and steric bulk of groups attached to the nitrogens of 4,4′-bipyridyl. Several classes of amine inhibitors were examined Polyamines were generally more potent than compounds containing only 1 quaternizable N at pH 7.4. α,ω-Diaminoalkanes were the most potent inhibitors of I accumulation by lung slices.

Toxicology and Applied Pharmacology published new progress about Lung. 36437-30-6 belongs to class pyridine-derivatives, name is 1,1-Di-n-octyl-4,4-bipyridinium Dibromide, and the molecular formula is C26H42Br2N2, Formula: C26H42Br2N2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Dubrovskiy, Anton V. published the artcileSynthesis of o-(Dimethylamino)aryl Ketones, Acridones, Acridinium Salts, and 1H-Indazoles by the Reaction of Hydrazones and Arynes, COA of Formula: C7H7NO2, the main research area is hydrazone trimethylsilylaryl triflate aryne cyclization ring opening; dimethylaminoaryl ketone preparation; acridone preparation; indazole preparation; acridinium salt preparation.

A novel, efficient route to biol. and pharmaceutically important o-(dimethylamino)aryl ketones, acridones, acridinium salts, and 1H-indazoles has been developed starting from readily available hydrazones of aldehydes and o-(trimethylsilyl)aryl triflates. The reaction proceeds through arynes under mild conditions, tolerates a wide range of functional groups, and provides the final products in good to excellent yields.

Journal of Organic Chemistry published new progress about Aromatic hydrocarbons, arynes Role: FMU (Formation, Unclassified), RCT (Reactant), FORM (Formation, Nonpreparative), RACT (Reactant or Reagent). 71255-09-9 belongs to class pyridine-derivatives, name is 2-Methoxynicotinaldehyde, and the molecular formula is C7H7NO2, COA of Formula: C7H7NO2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Annamalai, Murali published the artcileHighly stereoselective synthesis of a compound collection based on the bicyclic scaffolds of natural products, Name: 2-Methoxynicotinaldehyde, the main research area is bicyclic compound diastereoselective preparation lipophilicity; Aza-heterocycles; European Lead Factory; drug discovery; natural products; scaffolds.

A natural product inspired synthesis of six different chemotypes and their derivatives for drug discovery research was reported. These bicyclic hetero- and carbocyclic scaffolds are highly novel, rich in sp3 features and with ideal physicochem. properties to display drug likeness. The functional groups on the scaffolds were exploited further to generate corresponding compound collections. Synthesis of two of these collections exemplified with ca. 350 compounds are each also presented. The whole compound library is being exposed to various biol. screenings within the European Lead Factory consortium.

Molecules published new progress about Diastereoselective synthesis. 71255-09-9 belongs to class pyridine-derivatives, name is 2-Methoxynicotinaldehyde, and the molecular formula is C7H7NO2, Name: 2-Methoxynicotinaldehyde.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem