Month: November 2022

Xing, Shuya; Zhu, Yu-Yi; Liu, Wen; Liu, Yong; Zhang, Jing; Zhang, Huarong; Wang, Yan; Ni, Shao-Fei; Shao, Xinxin published the artcile< C-H Fluoroalkylsulfinylation/Intramolecular Rearrangement for Precise Synthesis of Fluoroalkyl Sulfoxides>, Computed Properties of 30095-98-8, the main research area is fluoroalkyl sulfoxide preparation; arylhydroxylamine fluoroalkylsulfinylation intramol rearrangement.

An efficient methodol. to access various fluoroalkyl sulfoxides bearing ortho/para-functionalized amine scaffolds, e.g. I from arylhydroxylamines was described. The transformation was featured with new electrophilic trifluoromethylthiolated reagents, good functional group tolerance, and late-stage modification of complex bioactive scaffolds, providing a rapid access to prepare numerous trifluoromethyl- and difluoromethyl-substituted sulfoxides. Mechanism studies and d. functional theory calculations suggest this reaction goes through a nucleophilic trifluoromethylthiolation of arylhydroxylamine and subsequent internal 2,3-sigmatropic rearrangement involving a sulfur and oxygen transfer process.

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

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

Williams, T. R.; McElvany, S. W.; Ighodalo, E. C. published the artcile< Determination of sulfur dioxide in solutions by pyridinium bromide perbromide and titrimetric and flow injection procedures>, SDS of cas: 112-63-0, the main research area is sulfur dioxide determination; pyridinium bromide perbromide reagent sulfur dioxide; photometric titration sulfur dioxide; flow injection sulfur dioxide determination.

SO2 can be determined by its reaction with pyridinium bromide perbromide by using photometric titrations and flow injection procedures. Both methods are useful down to 30 ppm, and are unaffected by NH3 or NO2. Both Hg(II) and EDTA interfere under some circumstances.

Analytica Chimica Acta published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

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

Kostyrko, E. O.; Kovtunenko, V. A.; Kysil, V. M. published the artcile< Synthesis and properties of new functionalized 2-benzazepines>, Product Details of C19H34O2, the main research area is aryl cyanomethylbenzyl aminoacetic acid ester cyclization sodium methylate; benzazepine functionalized preparation.

2-Aryl-4-hydroxy-2,3-dihydro-1H-2-benzazepine-5-carbonitriles were obtained by the cyclization of Me esters of N-aryl-N-(2-cyanomethylbenzyl)aminoacetic acids by the action of sodium methylate. The keto-enol tautomerism of these compounds and their reactions with hydrazines were studied.

Chemistry of Heterocyclic Compounds (New York, NY, United States) published new progress about Aromatic esters Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation) (amino). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Gall, Daniel L.; Kim, Hoon; Lu, Fachuang; Donohue, Timothy J.; Noguera, Daniel R.; Ralph, John published the artcile< Stereochemical Features of Glutathione-dependent Enzymes in the Sphingobium sp. Strain SYK-6 β-Aryl Etherase Pathway>, Product Details of C19H34O2, the main research area is stereochem glutathione enzyme Sphingobium aryl etherase; Bacterial Metabolism; Enzyme Catalysis; Glutathione; Glutathione S-Transferase; Lignin Degradation; Stereoselectivity; Stereospecificity; Thiol; beta-Aryl Etherase; beta-S-Thioetherase.

Glutathione-dependent enzymes play important protective, repair, or metabolic roles in cells. In particular, enzymes in the glutathione S-transferase (GST) superfamily function in stress responses, defense systems, or xenobiotic detoxification. Here, we identify novel features of bacterial GSTs that cleave β-aryl ether bonds typically found in plant lignin. Our data reveal several original features of the reaction cycle of these GSTs, including stereospecific substrate recognition and stereoselective formation of β-S-thioether linkages. Products of recombinant GSTs (LigE, LigP, and LigF) are β-S-glutathionyl-α-keto-thioethers that are degraded by a β-S-thioetherase (LigG). All three Lig GSTs produced the ketone product (β-S-glutathionyl-α-veratrylethanone) from an achiral side chain-truncated model substrate (β-guaiacyl-α-veratrylethanone). However, when β-etherase assays were conducted with a racemic model substrate, β-guaiacyl-α-veratrylglycerone, LigE- or LigP-catalyzed reactions yielded only one of two potential product (β-S-glutathionyl-α-veratrylglycerone) epimers, whereas the other diastereomer (differing in configuration at the β-position (i.e. its β-epimer)) was produced only in the LigF-catalyzed reaction. Thus, β-etherase catalysis causes stereochem. inversion of the chiral center, converting a β(R)-substrate to a β(S)-product (LigE and LigP), and a β(S)-substrate to a β(R)-product (LigF). Further, LigG catalyzed glutathione-dependent β-S-thioether cleavage with β-S-glutathionyl-α-veratrylethanone and with β(R)-configured β-S-glutathionyl-α-veratrylglycerone but exhibited no or significantly reduced β-S-thioether-cleaving activity with the β(S)-epimer, demonstrating that LigG is a stereospecific β-thioetherase. We therefore propose that multiple Lig enzymes are needed in this β-aryl etherase pathway in order to cleave the racemic β-ether linkages that are present in the backbone of the lignin polymer.

Journal of Biological Chemistry published new progress about Chiral resolution. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

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

Huang, Xiaohua; Cheng, Cliff C.; Fischmann, Thierry O.; Duca, Jose S.; Yang, Xianshu; Richards, Matthew; Shipps, Gerald W. published the artcile< Discovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is thiazole carboxamidophenyl piperazine preparation CHK1 kinase inhibitor SAR; Automated Ligand Identification System (ALIS); CHK1 protein kinase; affinity selection−mass spectrometry (AS-MS); structure-based drug design; thiazole-4-carboxamide.

A novel series of CHK1 inhibitors with a distinctive hinge binding mode, exemplified by 2-aryl-N-(2-(piperazin-1-yl)phenyl)thiazole-4-carboxamide, was discovered through high-throughput screening using the affinity selection-mass spectrometry (AS-MS)-based Automated Ligand Identification System (ALIS) platform. Structure-based ligand design and optimization led to significant improvements in potency to the single digit nanomolar range and hundred-fold selectivity against CDK2.

ACS Medicinal Chemistry Letters published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Li, Qiang; Wu, Jing; Huang, Jiawen; Hu, Rong; You, Haiyan; Liu, Lingyu; Wang, Dongtao; Wei, Lianbo published the artcile< Paeoniflorin ameliorates skeletal muscle atrophy in chronic kidney disease via AMPK/SIRT1/PGC-1α-mediated oxidative stress and mitochondrial dysfunction>, Computed Properties of 112-63-0, the main research area is chronic kidney disease skeletal muscle atrophy AMPK SIRT1 PGC1A; oxidative stress mitochondrial dysfunction paeoniflorin; AMPK/SIRT1/PGC-1α; chronic kidney disease; mitochondrial dysfunction; oxidative stress; paeoniflorin; skeletal muscle atrophy.

Skeletal muscle atrophy is a common and serious complication of chronic kidney disease (CKD). Oxidative stress and mitochondrial dysfunction are involved in the pathogenesis of muscle atrophy. The aim of this study was to explore the effects and mechanisms of paeoniflorin on CKD skeletal muscle atrophy. We demonstrated that paeoniflorin significantly improved renal function, calcium/phosphorus disorders, nutrition index and skeletal muscle atrophy in the 5/6 nephrectomized model rats. Paeoniflorin ameliorated the expression of proteins associated with muscle atrophy and muscle differentiation, including muscle atrophy F-box (MAFbx/atrogin-1), muscle RING finger 1 (MuRF1), MyoD and myogenin (MyoG). In addition, paeoniflorin modulated redox homeostasis by increasing antioxidant activity and suppressing excessive accumulation of reactive oxygen species (ROS). Paeoniflorin alleviated mitochondrial dysfunction by increasing the activities of electron transport chain complexes and mitochondrial membrane potential. Furthermore, paeoniflorin also regulates mitochondrial dynamics. Importantly, paeoniflorin upregulated the expression of silent information regulator 1 (SIRT1), peroxisome proliferator-activated receptor gamma coactivator-1α (PGC-1α), and phosphorylation of AMP-activated protein kinase (AMPK). Similar results were observed in C2C12 myoblasts treated with TNF-α and paeoniflorin. Notably, these beneficial effects of paeoniflorin on muscle atrophy were abolished by inhibiting AMPK and SIRT1 and knocking down PGC-1α. Taken together, this study showed for the first time that paeoniflorin has great therapeutic potential for CKD skeletal muscle atrophy through AMPK/SIRT1/PGC-1α-mediated oxidative stress and mitochondrial dysfunction.

Frontiers in Pharmacology published new progress about Antioxidants. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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

Todoriki, Sota; Hosoda, Yui; Yamamoto, Tae; Watanabe, Mayu; Sekimoto, Akiyo; Sato, Hiroshi; Mori, Takefumi; Miyazaki, Mariko; Takahashi, Nobuyuki; Sato, Emiko published the artcile< Methylglyoxal Induces Inflammation, Metabolic Modulation and Oxidative Stress in Myoblast Cells>, HPLC of Formula: 112-63-0, the main research area is metabolome methylglyoxal Murf1 ATP Nqo1 PPARA inflammation oxidative stress; chronic kidney disease; metabolic alteration; methylglyoxal; myoblast cell; sarcopenia.

Uremic sarcopenia is a serious clin. problem associated with phys. disability and increased morbidity and mortality. Methylglyoxal (MG) is a highly reactive, dicarbonyl uremic toxin that accumulates in the circulatory system in patients with chronic kidney disease (CKD) and is related to the pathol. of uremic sarcopenia. The pathophysiol. of uremic sarcopenia is multifactorial; however, the details remain unknown. We investigated the mechanisms of MG-induced muscle atrophy using mouse myoblast C2C12 cells, focusing on intracellular metabolism and mitochondrial injury. We found that one of the causative pathol. mechanisms of uremic sarcopenia is metabolic flow change to fatty acid synthesis with MG-induced ATP shortage in myoblasts. Evaluation of cell viability revealed that MG showed toxic effects only in myoblast cells, but not in myotube cells. Expression of mRNA or protein anal. revealed that MG induces muscle atrophy, inflammation, fibrosis, and oxidative stress in myoblast cells. Target metabolomics revealed that MG induces metabolic alterations, such as a reduction in tricarboxylic acid cycle metabolites. In addition, MG induces mitochondrial morphol. abnormalities in myoblasts. These changes resulted in the reduction of ATP derived from the mitochondria of myoblast cells. Our results indicate that MG is a pathogenic factor in sarcopenia in CKD.

Toxins published new progress about Atrogin 1 Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

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

Koring, Laura; Sitte, Nikolai A.; Bursch, Markus; Grimme, Stefan; Paradies, Jan published the artcile< Hydrogenation of Secondary Amides using Phosphane Oxide and Frustrated Lewis Pair Catalysis>, Quality Control of 112-63-0, the main research area is secondary amine preparation; amide hydrogenation phosphine oxide catalyst frustrated Lewis pair; carboxylic amide; frustrated Lewis pair; hydrogen; hydrogenation; phosphane oxide.

The metal-free catalytic hydrogenation of secondary amides for synthesis of amines RCH2NHR1 [R = i-Pr, Ph, 4-BrC6H4, etc.; R1 = Me, Et, Ph, etc.] was developed. The reduction was realized by two new catalytic reactions. First, the amide was converted into the imidoyl chloride by triphosgene (CO(OCCl3)2) using novel phosphorus(V) catalysts. Second, the in situ generated imidoyl chlorides were hydrogenated in high yields by an FLP-catalyst. Mechanistic and quantum mech. calculations supported an autoinduced catalytic cycle for the hydrogenation with chloride acting as unusual Lewis base for FLP-mediated H2-activation.

Chemistry – A European Journal published new progress about Amides, secondary Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

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

Luo, Shanshan; Lin, Paul P.; Nieh, Liang-Yu; Liao, Guan-Bo; Tang, Po-Wen; Chen, Chi; Liao, James C. published the artcile< A cell-free self-replenishing CO2-fixing system>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is carbon dioxide fixing system.

Biol. CO2 fixation is so far the most effective means for CO2 reduction at scale and accounts for most of the CO2 fixed on Earth. Through this process, carbon is fixed in cellular components and biomass during organismal growth. To uncouple CO2 fixation from growth and cellular regulation, cell-free CO2 fixation systems represent an alternative approach since the rate can be independently manipulated. Here we designed an oxygen-insensitive, self-replenishing CO2 fixation system with opto-sensing. The system comprises a synthetic reductive glyoxylate and pyruvate synthesis (rGPS) cycle and the malyl-CoA-glycerate (MCG) pathway to produce acetyl-CoA (CoA), pyruvate and malate from CO2, which are also intermediates in the cycle. We solved various problems associated with the in vitro system, and implemented opto-sensing modules to control the regeneration of cofactors. We accomplished sustained operation for 6 h with a CO2-fixing rate comparable to or greater than typical CO2 fixation rates of photosynthetic or lithoautotrophic organisms. [graphic not available: see fulltext].

Nature Catalysis published new progress about Biomass. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Fearon, Daren; Westwood, Isaac M.; van Montfort, Rob L. M.; Bayliss, Richard; Jones, Keith; Bavetsias, Vassilios published the artcile< Synthesis and profiling of a 3-aminopyridin-2-one-based kinase targeted fragment library: Identification of 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one scaffold for monopolar spindle 1 (MPS1) and Aurora kinases inhibition>, Formula: C19H34O2, the main research area is aminopyridinone fragment compound library screening MPS1 Aurora kinase inhibitor; 3-Aminopyridin-2-one; Aurora kinase; Fragment compound library; MPS1 kinase.

Screening a 3-aminopyridin-2-one based fragment library against a 26-kinase panel representative of the human kinome identified 3-amino-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2(1H)-one (2) and 3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one (3) as ligand efficient inhibitors of the mitotic kinase Monopolar Spindle 1 (MPS1) and the Aurora kinase family. These kinases are well recognized as attractive targets for therapeutic intervention for treating cancer. Elucidation of the binding mode of these fragments and their analogs has been carried out by x-ray crystallog. Structural studies have identified key interactions with a conserved lysine residue and have highlighted potential regions of MPS1 which could be targeted to improve activity and selectivity.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 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