Month: November 2022

Reid, Margaret D.; Tirado, Liz; Zhang, Jianwei; Dike, Nwamara; Herndon, James W. published the artcile< Reaction of cyclopropylcarbene-metal complexes with nucleophiles, halogens and HX>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is cyclopropyl chromium carbene complex preparation reaction nucleophile halogen pseudohalogen; chromium cyclopropyl phenylthio carbene complex preparation reaction nucleophile halogen; dihalo thiophenyl butene preparation stereocontrol.

The reaction of halogens, pseudohalogens, and HX with cyclopropyl(phenylthio)carbene-chromium complexes leads to the formation of 1,4-dihalo-1-thiophenyl-1-butene systems with a moderate-high degree of stereocontrol in the formation of the alkene. A mechanism involving electrophilic activation of the carbene complex followed by nucleophilic attack at the cyclopropane carbon has been proposed.

Journal of Organometallic Chemistry published new progress about Alkenes Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Yang, Chunsheng; Zhong, Chongli published the artcile< Chirality factors and their application to QSAR studies of chiral molecules>, Category: esters-buliding-blocks, the main research area is chirality factor QSAR.

Two series of chirality factors that can distinguish enantiomers and diastereomers were developed in this work and the corresponding chiral topol. indexes were proposed. The obtained chiral topol. indexes can be used to perform QSAR studies for chiral mols. The biol. activities of fourteen 3-(3-hydroxyphenyl)- piperidines (seven pairs of enantiomers), the high-pressure thin-layer chromatog. retention indexes of eight hydroxy acids and ten amino acids (nine pairs of enantiomers), the ED50 of 23 ecdysteroids (19 pairs of diastereomers), and the corticosteroid-binding globulins affinities of 31 steroids were used to evaluate the chirality factors and the corresponding chiral topol. indexes. The QSAR models developed give satisfactory predictive accuracy. Compared with the existing methods, the chirality factor method proposed in this work has the advantage of being applicable to the existing topol. indexes directly. This makes good use of the existing topol. indexes, and thus brings convenience to the QSAR studies for chiral mols. Another advantage of the new method is that it can also correctly describe the characteristics of meso compounds

QSAR & Combinatorial Science published new progress about Chirality. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Category: esters-buliding-blocks.

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

Zhang, Li; Zhu, Huayu; Song, Xingliang; Sun, Aide published the artcile< Analysis of chemical components in essential oil of the Negundo Chastetree fruit of supercritical CO2 fluid extraction by gas chromatography/mass spectrometry>, Related Products of 112-63-0, the main research area is Negundo carbon dioxide GC MS essential oil.

The chem. compositions in essential oil of the Negundo Chastetree Fruit of supercritical CO2 fluid extraction were analyzed. The chem. compositions of the volatile oil of the Negundo Chastetree Fruit extracted by supercritical CO2 fluid were analyzed by capillary gas chromatog.-mass spectrometry (GC-MS) method, and the relative component percentage of each component was determined by GC area normalization method. Ninety-one peaks were separated by capillary GC-MS and of the 60 peaks corresponding compounds were identified, which account for about 96% of the total area. The main chem. compositions were as follows: decanol (71.22%), 2,5,5,8a-tetramethyloctahydro-2H-chromene (4.96%), β-caryophyllene (2.29%), cyclohexene (1.86%), osthole (1.77%), 4-hydroxy-4-methyl-2-pentanone (1.61%) and 9-(3-butenyl) anthracene (1.11%), etc. This study could be served as a scientific basis for the further exploitation and utilization of the Negundo Chastetree Fruit.

Zhongguo Yaofang published new progress about Negundo. 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

Cui, Pei H.; Rawling, Tristan; Bourget, Kirsi; Kim, Terry; Duke, Colin C.; Doddareddy, Munikumar R.; Hibbs, David E.; Zhou, Fanfan; Tattam, Bruce N.; Petrovic, Nenad; Murray, Michael published the artcile< Antiproliferative and Antimigratory Actions of Synthetic Long Chain n-3 Monounsaturated Fatty Acids in Breast Cancer Cells That Overexpress Cyclooxygenase-2>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is antitumor antimetastatic monounsaturated fatty acid preparation breast cancer; structure activity antitumor monounsaturated fatty acid preparation breast cancer.

Cyclooxygenase-2 (COX-2) is overexpressed in many human cancers and converts the n-6 polyunsaturated fatty acid (PUFA) arachidonic acid to prostaglandin E2 (PGE2), which drives tumorigenesis; in contrast, n-3 PUFA inhibit tumorigenesis. We tested the hypothesis that these antitumor actions of n-3 PUFA may involve the n-3 olefinic bond. n-3 Monounsaturated fatty acids (MUFAs) of chain length C16-C22 were synthesized and evaluated in MDA-MB-468 breast cancer cells that stably overexpressed COX-2 (MDA-COX-2 cells). Longer chain (C19-C22) n-3 MUFAs inhibited proliferation, activated apoptosis, decreased PGE2 formation, and decreased cell invasion; C16-C18 analogs were less active. Mol. modeling showed that interactions of Arg120, Tyr355, and several hydrophobic amino acid residues in the COX-2 active site with C19-C22 MUFA analogs were favored. Thus, longer-chain n-3 MUFAs may be prototypes of novel anticancer agents that decrease the formation of PGE2 in tumor cells that contain high levels of COX-2.

Journal of Medicinal Chemistry published new progress about Antitumor agents. 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

Zhou, Yumei; Wang, Tieshan; Zhao, Xiaoshan; Wang, Ji; Wang, Qi published the artcile< Plasma metabolites and gut microbiota are associated with T cell Imbalance in BALB/c model of eosinophilic asthma>, Application of C19H34O2, the main research area is metabolite immunity eosinophilic allergy asthma; Tcell imbalance; drug treatment; eosinophilic asthma; gut microbiota; plasma metabolites.

The pathogenesis of allergic asthma is complex, it is usually caused by immune system imbalance. Th1, Th2, regulatory T cells (Treg) and T helper 17 (Th17) cells have an important role in the pathogenesis of eosinophilic asthma. Yet, the exact role of Th1, Th2, Treg and Th17 cells in eosinophilic asthmatic disease is not fully understood. This study used an untargeted plasma metabolomics combine 16S rDNA technol. to identify new biomarkers of plasma metabolites and gut microbiota in ovalbumin-induced eosinophilic allergic asthma in BALB/c mice to further explore the biomarkers in regulating the immune balance or the immune response. We discovered that malate, L-dihydroorotate were associated with Th1/Th2 and Treg/Th17 cells balance, imidazoleacetic acid was associated with Th1/Th2 cell balance, 1,5-anhydro-d-sorbitol was associated with Treg/Th17 cell balance. The results also found that genus Candidatus Arthromitus of gut microbiota were associated with Th1/2, Treg/Th17 balance, genus Ruminiclostridium 6, they were all associated with Th1/2 and Treg/Th17 cell balance, while the gut microbiota were not associated with penh value which reflect airway hyperresponsiveness (AHR) in the eosinophilic asthma mice model. Interestingly, the plasma metabolite biomarkers of malate, L-dihydroorotate are associated with genus Ruminiclostridium 6, they were all associated with Th1/2 and Treg/Th17 cell balance, while imidazoleacetic acid is associated with genus Ruminiclostridium 6 which is associated with Th1/2 balance. Among the differential plasma metabolites, 1,5-anhydro-d-sorbitol is associated with genus Ruminiclostridium6 and genus Candidatus Arthromitus. Among them, malate participate in the T cell activation, T cell differentiation and activation may be a new research direction in eosinophilic allergic asthma. We firstly study the gut microbiota and plasma metabolites markers of immune balance in eosinophilic asthma in mice model, laying a foundation for drug treatment in eosinophilic allergic asthma.

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

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

Mao, Meng; Chu, Qinjun; Lou, Yongli; Lv, Peipei; Wang, Lin-Jian published the artcile< RNA N1-methyladenosine regulator-mediated methylation modification patterns and heterogeneous signatures in glioma>, Computed Properties of 112-63-0, the main research area is glioma methylation RNA N1methyladenosine; TMZ-resistance; glioma; heterogeneity; m1A; stemness; tumor microenvironment.

N1-methyladenosine (m1 A) is ubiquitous in eukaryotic RNA and regulates mRNA translation. However, little is known about its regulatory role in glioma. Here, we identified 4 m1 A modification-related patterns based on m1 A regulators in the TCGA (The Cancer Genome Atlas) and CGGA (Chinese Glioma Genome Atlas) cohorts. The differences in survival prognosis between different clusters were striking. In addition, stemness, genomic heterogeneity, tumor microenvironment (TME), and immune cell infiltration were also significantly different between the poor and best prognostic clusters. To reveal the underlying mechanism, differentially expressed genes (DEGs) between the poor and best prognostic clusters were identified, and then were integrated for weighted correlation network anal. (WGCNA). After Univariate Cox-LASSO-Multivariate Cox analyses, DEGs PLEK2 and ABCC3 were screened as the risk-hub genes and were selected to construct an m1 A-related signature. Moreover, ABCC3 exacerbated glioma proliferation and was associated with temozolomide (TMZ) resistance. Overall, our study provided new insights into the function and potential therapeutic role of m1 A in glioma.

Frontiers in Immunology published new progress about CD4 antigens Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Dalidovich, Tatsiana; Nallaparaju, Jagadeesh Varma; Shalima, Tatsiana; Aav, Riina; Kananovich, Dzmitry G. published the artcile< Mechanochemical Nucleophilic Substitution of Alcohols via Isouronium Intermediates>, Recommanded Product: (S)-Dimethyl 2-hydroxysuccinate, the main research area is alc amine mechanochem nucleophilic substitution; tertiary amine preparation; Alcohols; amines; isouronium; mechanochemistry; nucleophilic substitution.

Herein a new mechanochem. method was developed for nucleophilic substitution of alcs. using fluoro-N,N,N’,N’-tetramethylformamidinium hexafluorophosphate (TFFH) and K2HPO4 as an alc.-activating reagent and a base, resp. Alc. activation and reaction with a nucleophile were performed in one milling jar via reactive isouronium intermediates. Nucleophilic substitution with amines afforded alkylated amines in 31-91% yields. The complete stereoinversion occurred for the SN2 reaction of (R)- and (S)-Et lactates. Substitution with halide anions (F-, Br-, I-) and oxygen-centered (CH3OH, PhO-) nucleophiles was also tested. Application of the method to the synthesis of active pharmaceutical ingredients has been demonstrated.

ChemSusChem published new progress about Alcohols Role: RCT (Reactant), RACT (Reactant or Reagent). 617-55-0 belongs to class esters-buliding-blocks, and the molecular formula is C6H10O5, Recommanded Product: (S)-Dimethyl 2-hydroxysuccinate.

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

Asaula, Vitalii M.; Buryanov, Volodymyr V.; Solod, Bohdan Y.; Tryus, Daryna M.; Pariiska, Olena O.; Kotenko, Igor E.; Volovenko, Yulian M.; Volochnyuk, Dmitriy M.; Ryabukhin, Sergey V.; Kolotilov, Sergey V. published the artcile< Catalytic Hydrogenation of Substituted Quinolines on Co-Graphene Composites>, Related Products of 112-63-0, the main research area is quinoline preparation catalytic hydrogenation cobalt graphene composite.

A set of 20 composites was prepared by pyrolysis of Co2+ complexes with 1,10-phenanthroline, melamine and 1,2-diaminobenzene. These composites were tested as the catalysts for the hydrogenation of quinolines. As shown by powder X-ray diffraction and TEM, the composites contained Co particles of several dozen nm sizes. The composition (elements content), Raman spectra X-ray photoelectron spectra parameters of the composites were analyzed. It was found that there was no distinct factor that controlled the yield of 1,2,3,4-tetrahydroquinolines in the investigated process. The yields of the resp. products were in the range 90-100%. The three most active composites were selected for scale-up and hydrogenation of a series of substituted quinolines. Up to 97% yield of 1,2,3,4-tetrahydroquinoline was obtained on a 50 g scale. Five representative substituted quinolines were synthesized on a 10-20 g scale using the Co-containing composites as the catalysts.

European Journal of Organic Chemistry published new progress about Hydrogenation. 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

Samartsev, Victor N.; Semenova, Alena A.; Ivanov, Andrey N.; Dubinin, Mikhail V. published the artcile< Comparative study of free respiration in liver mitochondria during oxidation of various electron donors and under conditions of shutdown of complex III of the respiratory chain>, Formula: C19H34O2, the main research area is electron transport chain respiration liver mitochondria oxidation; Decoupling; Electron transport chain; Free respiration; Mitochondria; Uncoupling; α,ω-hexadecanedioic acid.

The present work shows that the rate of free respiration of liver mitochondria in the absence of ATP synthesis (state 4) during the oxidation of succinate is 1.7 times higher than during the oxidation of glutamate with malate. In turn, in the case of oxidation of ferrocyanide with ascorbate, this value is 3.1 times greater than in the case of succinate oxidation A similar pattern is also observed upon stimulation of free respiration by low concentrations (5 and 10μM) of the protonophore uncoupler 2,4-dinitrophenol (DNP). It is found that the passive leakage rate of protons in state 4 is the same if the H+/O ratios are 10, 6, and 2 upon the oxidation of glutamate with malate, succinate, and ferrocyanide with ascorbate, resp. At these values of the H+/O ratio, low concentrations of DNP stimulate passive proton leakage equally during the oxidation of these respiration substrates. In the case of succinate oxidation, bypassing complex III by N,N,N’,N’-tetramethyl-p-phenylenediamine (TMPD) to the maximum degree, as well as switching this complex completely to idle mode by α,ω-hexadecanedioic acid (HDA) cause a 3-fold stimulation of respiration in state 4. We conclude that at mitochondrial free respiration the values of the H+/2e- ratio for complexes I, III, and IV of the respiratory chain are 4, 4, and 2, resp. It is assumed that the free respiration of mitochondria is carried out by simple diffusion of protons through the inner membrane, and the rate of this diffusion depends on the total number of protons released by the complexes of the electron transport chain into the intermembrane space.

Biochemical and Biophysical Research Communications published new progress about Diffusion (proton). 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

Alegre-Requena, Juan V.; Haring, Marleen; Sonsona, Isaac G.; Abramov, Alex; Marques-Lopez, Eugenia; Herrera, Raquel P.; Diaz, David Diaz published the artcile< Synthesis and supramolecular self-assembly of glutamic acid-based squaramides>, Application of C19H34O2, the main research area is glutamic acid squaramide self assembly; glutamic acid derivative; organogel; self-assembly; squaramide; supramolecular gel.

We describe the preparation and characterization of two new unsym. squaramide-based organogelators. The synthesis of the compounds was carried out by subsequent amine condensations starting from di-Me squarate. The design of the gelators involved a squaramide core connected on one side to a long aliphatic chain and on the other side to a glutamic acid residue. The gelator bearing the free carboxylic groups showed a lower gelation capacity than its precursor diester derivative Some selected gels were further studied by IR spectroscopy, rheol. and electron microscopy. Critical gelation concentrations and gel-to-sol transition temperatures were also determined for each case. In addition, the superior squaramide diester gelator was compared with an analog triazole-based gelator in terms of critical gelation concentration, gelation kinetics and thermal phase transition.

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

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