Month: October 2022

Rana, Payal; Aleo, Michael D.; Wen, Xuerong; Kogut, Stephen published the artcile< Hepatotoxicity reports in the FDA adverse event reporting system database: A comparison of drugs that cause injury via mitochondrial or other mechanisms>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is human liver injury hepatotoxicity adverse event benzbromarone troglitazone; AE, adverse event; Adverse event reporting; CI, confidence interval; CNS, center nervous system; DILI, drug-induced liver injury; DNA, deoxyribonucleic acid; Drug-induced liver injury; FAERS database; FAERS, FDA’s Adverse Event Reporting System; FDA, US Food and Drug Administration; Hepatotoxicity; MedDRA, Medical Dictionary for Regulatory Activities; Mitochondrial toxicity; NCTR-LTKB, National Center for Toxicological Research-Liver Toxicity Knowledge Base; NSAID, nonsteroidal anti-inflammatory drugs; ROR, Reporting Odds Ratio.

Drug-induced liver injury (DILI) is a leading reason for preclin. safety attrition and post-market drug withdrawals. Drug-induced mitochondrial toxicity has been shown to play an essential role in various forms of DILI, especially in idiosyncratic liver injury. This study examined liver injury reports submitted to the Food and Drug Administration (FDA) Adverse Event Reporting System (FAERS) for drugs associated with hepatotoxicity via mitochondrial mechanisms compared with non-mitochondrial mechanisms of toxicity. The frequency of hepatotoxicity was determined at a group level and individual drug level. A reporting odds ratio (ROR) was calculated as the measure of effect. Between the two DILI groups, reports for DILI involving mitochondrial mechanisms of toxicity had a 1.43 (95% CI 1.42-1.45; P < 0.0001) times higher odds compared to drugs associated with non-mitochondrial mechanisms of toxicity. Antineoplastic, antiviral, analgesic, antibiotic, and antimycobacterial drugs were the top five drug classes with the highest ROR values. Although the top 20 drugs with the highest ROR values included drugs with both mitochondrial and non-mitochondrial injury mechanisms, the top four drugs (ROR values > 18: benzbromarone, troglitazone, isoniazid, rifampin) were associated with mitochondrial mechanisms of toxicity. The major demog. influence for DILI risk was also examined There was a higher mean patient age among reports for drugs that were associated with mitochondrial mechanisms of toxicity [56.1 ± 18.33 (SD)] compared to non-mitochondrial mechanisms [48 ± 19.53 (SD)] (P < 0.0001), suggesting that age may play a role in susceptibility to DILI via mitochondrial mechanisms of toxicity. Univariate logistic regression anal. showed that reports of liver injury were 2.2 (odds ratio: 2.2, 95% CI 2.12-2.26) times more likely to be associated with older patient age, as compared with reports involving patients less than 65 years of age. Compared to males, female patients were 37% less likely (odds ratio: 0.63, 95% CI 0.61-0.64) to be subjects of liver injury reports for drugs associated with mitochondrial toxicity mechanisms. Given the higher proportion of severe liver injury reports among drugs associated with mitochondrial mechanisms of toxicity, it is essential to understand if a drug causes mitochondrial toxicity during preclin. drug development when drug design alternatives, more clin. relevant animal models, and better clin. biomarkers may provide a better translation of drug-induced mitochondrial toxicity risk assessment from animals to humans. Our findings from this study align with mitochondrial mechanisms of toxicity being an important cause of DILI, and this should be further investigated in real-world studies with robust designs. Acta Pharmaceutica Sinica B published new progress about Aging, animal. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Dinca, Emanuela; Hartmann, Philip; Smrcek, Jakub; Dix, Ina; Jones, Peter G.; Jahn, Ullrich published the artcile< General and Efficient α-Oxygenation of Carbonyl Compounds by TEMPO Induced by Single-Electron-Transfer Oxidation of Their Enolates>, Formula: C6H10O5, the main research area is alpha oxygenated carbonyl compound preparation; regioselective oxygenation carbonyl compound single electron transfer oxidation; stable free radical TEMPO coupling carbonyl compound; piperidinyloxy ketone ester amide acid nitrile preparation; enolate aggregate influence oxygenation reactions significantly; chemoselective reduction piperidinyloxy compound; hydroxy alpha carbonyl compound preparation; monoprotected diol preparation; amino alc protected preparation.

A generally applicable method for the synthesis of protected α-oxygenated carbonyl compounds is reported. It is based on the single-electron-transfer oxidation of easily generated enolates to the corresponding α-carbonyl radicals. Coupling with the stable free radical TEMPO provides α-(piperidinyloxy) ketones, esters, amides, acids or nitriles in moderate-to-excellent yields. Enolate aggregates influence the outcome of the oxygenation reactions significantly. Competitive reactions have been analyzed and conditions for their minimization are presented. Chemoselective reduction of the products led to either N-O bond cleavage to α-hydroxy carbonyl compounds or reduction of the carbonyl functionality to monoprotected 1,2-diols or O-protected amino alcs.

European Journal of Organic Chemistry published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent) (enolization and TEMPO-induced single-electron-transfer oxidation of). 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Formula: C6H10O5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Wenbang; Wu, Fangling; Dai, Yongwei; Zhang, Jing; Ni, Bichen; Wang, Jiabin published the artcile< Poly (octadecyl methacrylate-co-trimethylolpropane trimethacrylate) monolithic column for hydrophobic in-tube solid-phase microextraction of Chlorophenoxy acid herbicides>, Synthetic Route of 3290-92-4, the main research area is chlorophenoxy acid herbicide polyoctadecyl methacrylate trimethylolpropane trimethacrylate microextraction; HPLC; chlorophenoxy acid herbicides; hydrophobic in-tube solid-phase microextraction; poly (OMA-co-TRIM) monolithic column; rice grains.

Chlorophenoxy acid herbicides (CAHs), which are widely used on cereal crops, have become an important pollution source in grains. In this work, a highly hydrophobic poly (octadecyl methacrylate-co-trimethylolpropane trimethacrylate) [poly (OMA-co-TRIM)] monolithic column has been specially prepared for hydrophobic in-tube solid-phase microextraction (SPME) of CAHs in rice grains. Due to the hydrophobicity of CAHs in acid conditions, trace CAHs could be efficiently extracted by the prepared monolith with strong hydrophobic interaction. Several factors for online hydrophobic in-tube SPME, including the length of the monolithic column, ACN and trifluoroacetic acid percentage in the sampling solution, elution volume, and elution flow rate, were investigated with respect to the extraction efficiencies of CAHs. Under the optimized conditions, the limits of detection of the four CAHs fell in the range of 0.9-2.1 μg/kg. The calibration curves provided a wide linear range of 5-600 μg/kg and showed good linearity. The recoveries of this method ranged from 87.3% to 111.6%, with relative standard deviations less than 7.3%. Using this novel, highly hydrophobic poly (OMA-co-TRIM) monolith as sorbent, a simple and sensitive online in-tube SPME-HPLC method was proposed for anal. of CAHs residue in practical samples of rice grains.

Molecules published new progress about Microextraction (Solid-Phase). 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, Synthetic Route of 3290-92-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Al-Hussaini, Jinan Abdul-Amir Sabeeh; Hatem, Oraas Adnan; Alebady, Zainab Adnan Hatem published the artcile< Determination of chemical potential for stavudine (D4T) diffusion through SDS micelle solution>, Reference of 112-63-0, the main research area is chem potential stavudine cell membrane diffusion SDS micelle solution.

This study include a spectroscopic measurements of Stavudine diffusion in cell membrane alternative model in two different polar solutions; buffer phosphate solution (Polar solution) and N-Hexane (Non-polar solution). Consistent with the standard values, a clear maximum absorption peaks at 266 nm was noted for Stavudine in buffer phosphate solution The data also showed that the value of the extension coefficient and λmaxreduced in the non-polar medium compare to polar medium which was noted a s a part of the spectroscopic properties of Stavudine in polar and non-polar medium. Stavudine express a high stability with time in pH 7.4 . SDS was used as a cell membranes substitute model, and the diffusion rate of Stavudine through SDS micelles solution (with a concentration of 0.2 x10-2 M)was examined The chem. potential was calculated which was equal to -2489.4 J mol-1 which indicate the impulsiveness of the diffusion process for the compound The results suggested that Stavudine can diffuse (in a rate constant of 0.0183 min-1)to inside micelle from the aqueous medium. Of other detected factors; the equilibrium constant for diffusion rate was detected and was equal to 2.7313.

Systematic Reviews in Pharmacy published new progress about Cell membrane. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Reference of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Heasley, Gene E.; Bundy, J. McCall; Heasley, Victor L.; Arnold, Stanley; Gipe, Alice; McKee, David; Orr, Rob; Rodgers, Stephen L.; Shellhamer, Dale F. published the artcile< Electrophilic additions to dienes and the 1-phenylpropenes with pyridine-halogen complexes and tribromides. Effects on stereochemistry and product ratios>, Related Products of 112-63-0, the main research area is halogenation diene phenylpropene stereochem mechanism.

Dibromide product ratios from bromination with mol. Br, pyridine-Br complexes, and tribromide salts for butadiene, isoprene (I), the piperylenes (II), the 2,4-hexadienes (III), cyclopentadiene (IV), and the 1-phenylpropenes (V), and BrCl addition with analogous reagents to I, II and V are reported. The pyridine-halogen complexes and tribromide give much less 1,4-dihalide product from the dienes than does the mol. halogen; the proportion of 1,4 addition to dienes is suppressed further by an increase in amine concentration Dienes III and alkenes V which give nonstereospecific 1,2 addition with Br and BrCl approach 100% anti addition when a pyridine-halogen complex or tribromide is used as the brominating agent. The stereochem. of 1,4-bromine addition with dienes III and IV is primarily anti in the presence of amine, in contrast to being chiefly syn with mol. halogen in the absence of amine. Possible mechanistic differences between the halogenating agents are suggested.

Journal of Organic Chemistry published new progress about Bromination. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Shao, Yuewen; Li, Qingyin; Dong, Xinyi; Wang, Junzhe; Sun, Kai; Zhang, Lijun; Zhang, Shu; Xu, Leilei; Yuan, Xiangzhou; Hu, Xun published the artcile< Cooperation between hydrogenation and acidic sites in Cu-based catalyst for selective conversion of furfural to γ-valerolactone>, Application In Synthesis of 112-63-0, the main research area is copper catalyst furfural gamma valerolactone cooperation hydrogenation.

The production of γ-valerolactone (GVL) receives increasing attention due to its extensive applications as a promising fuel and fuel additive. In this study, the direct conversion of biomass-derived furfural to GVL with a unprecedent yield of 90.5% was achieved via consecutive hydrogenation and acid-catalyzed reactions over CuAl for hydrogenation and a co-catalyst (i.e. H-ZSM-5) for acid-catalysis in ethanol. The relative abundance of the hydrogenation sites and acidic sites determines the reaction network and the transfer of the main products from furfuryl alc. (FA) to Et levulinate (EL) or GVL, as the acidic sites, especially the Bronsted acidic sites, not only catalyze the formation of EL from FA, but also affect the hydrogenation activity of CuAl. However, the Lewis acidic sites facilitate the opening ring of FA to 1,4-pentanediol, preventing the GVL formation. The acid catalyst and hydrogenation catalyst deactivate via varied mechanisms in the conversion of furfural to GVL, which is required to be considered in the further development of the robust catalysts.

Fuel published new progress about Catalysts. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Application In Synthesis of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Chen, Guihua; Cao, Jian; Wang, Qian; Zhu, Jieping published the artcile< Desymmetrization of Prochiral Cyclopentenes Enabled by Enantioselective Palladium-Catalyzed Oxidative Heck Reaction>, HPLC of Formula: 30095-98-8, the main research area is desymmetrization cyclopentene enantioselective oxidative Heck palladium catalyst; oxidative Heck arylboronic acid cyclopentene palladium catalyst diastereoselective enantioselective.

In the presence of a catalytic amount of Pd(TFA)2 and a chiral Pyox ligand under oxygen atm., oxidative Heck reaction between arylboronic acids and 4-substituted or 4,4-disubstituted cyclopent-1-enes afforded the chiral arylated products with concurrent creation of two stereocenters in good yields with excellent diastereo- and enantioselectivities.

Organic Letters published new progress about Arylboronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, HPLC of Formula: 30095-98-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Zhang, Junjie; Wang, Huanxia; Ma, Yun; Wang, Youming; Zhou, Zhenghong; Tang, Chuchi published the artcile< CaF2 catalyzed SN2 type chlorodehydroxylation of chiral secondary alcohols with thionyl chloride: a practical and convenient approach for the preparation of optically active chloroalkanes>, Category: esters-buliding-blocks, the main research area is chloroalkane chiral preparation; calcium fluoride catalyst chlorodehydroxylation chiral secondary alc thionyl chloride.

A CaF2 catalyzed chlorodehydroxylation of chiral secondary alcs. with thionyl chloride has been developed. The chlorination reaction is effective for a wide range of alcs., generating the corresponding chloroalkanes in good yield with high optical purity with inversion of the original configuration of the alc.

Tetrahedron Letters published new progress about Chlorination. 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Category: esters-buliding-blocks.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ma, Qihong; Dong, Shi; Shi, Yuanyuan; Lu, Tiangong published the artcile< Guizhi-Fuling formula inhibits ovarian cancer progression by targeting STAT3 signaling network>, Formula: C19H34O2, the main research area is guizhi fuling formula ovarian cancer progression STAT3 signal transduction.

Ovarian cancer (OC) is the most lethal gynecol. malignancy. Frequent peritoneal dissemination is the main cause of low survival rate. Guizhi-Fuling formula (GZFL) is a classical traditional Chinese herbal formula, and has been clin. used for treating ovarian cancer with good outcome. However, its therapeutic mechanism for treating OC has not been clearly elucidated. Network pharmacol. anal. was used to predict potential mol. mechanisms of GZFL in treating OC. In vitro and in vivo anal., including STAT3 KO/WT cells proliferation assay, scratch assay and antitumor efficacy study were performed to assess the biol. activity of GZFL on targeting STAT3 in OC cells. We generated a “”GZFL target – OC – STAT3″” gene interaction network, and predicted that GZFL is tightly associated with IL6/JAK/STAT3 signal pathway and cancer metastasis. Our preliminary data showed that GZFL inhibited OC cell proliferation in a STAT3 dependent manner. It suppressed cell migration and downregulated p-STAT3 expression. In a tumor bearing mouse model, GZFL displayed a safety profile. GZFL inhibits OC progression by targeting STAT3 signaling network. Our newly proposed pharmacol. mechanisms of Guizhi-Fuling formula will provide a new insight for its clin. use in treating OC.

TMR Modern Herbal Medicine published new progress about Angiogenesis. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Strazzolini, Paolo; Verardo, Giancarlo; Gorassini, Fausto; Giumanini, Angelo G. published the artcile< Orientation effect of side chain substituents in aromatic substitution. Induced ortho nitration>, Application In Synthesis of 30095-98-8, the main research area is ortho nitration toluene derivative regiochem; benzeneacetic acid ortho nitration.

The presence of a free carboxyl or ester function on the α-carbon of toluene induces the nitration of the Ph ring in the ortho position at or above the statistical value (chaperon effect), when pure HNO3 is used in CH2Cl2 solution This is at variance with the results of classical nitration in H2SO4, where p-nitration predominates by far and m-nitration occurs to a remarkable extent. The new finding is explained in terms of precomplex formation.

Bulletin of the Chemical Society of Japan published new progress about Nitration. 30095-98-8 belongs to class esters-buliding-blocks, and the molecular formula is C9H9NO4, Application In Synthesis of 30095-98-8.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics