Tag: M.W=250-300

Kisel, V. M.; Kovtunenko, V. A. published the artcile< Synthesis of functionalized 2,5-ethano-2-benzazepines>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is ethanobenzazepine preparation.

The title compounds were prepared by cyclization of 2-NCCH2C6H4CH2N(CH2CH2Cl)2 using NaH in DMF.

Chemistry of Heterocyclic Compounds (New York)(Translation of Khimiya Geterotsiklicheskikh Soedinenii) published new progress about 112-63-0. 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

Xue, Guiren; Su, Shanshan; Yan, Pengfei; Shang, Jiawei; Wang, Jianxin; Yan, Chengye; Li, Jiaxi; Wang, Qiao; Xiong, Xue; Xu, Huijun published the artcile< Integrative analyses of widely targeted metabolomic profiling and derivatization-based LC-MS/MS reveals metabolic changes of Zingiberis Rhizoma and its processed products>, Application of C19H34O2, the main research area is metabolomic profiling Zingiberis Rhizoma; Chemical derivatization; Differentiate; Processed products; Widely targeted metabolomic analysis; Zingiberis Rhizoma.

Zingiberis Rhizoma (ZR) has nutritional value and application potentiality, while Zingiberis Rhizoma Praeparatum (ZRP) and Carbonised Ginger (CG) are two main processed products of ZR based on different methods. Here, we performed a widely targeted metabolomics method with Sequential Windowed Acquisition of all Theor. fragment ions (SWATH) mode to analyze differential metabolites in ZR, ZRP and CG. Addnl., the chem. derivatization was applied to characterize different submetabolomes and improve the separation effect and MS response of metabolites. In total, 369 metabolites were identified and divided into 14 categories, 104 of which were differential metabolites. Our results suggest that carbohydrates, nucleotides, organic acids, vitamins, lipids, indoles, alkaloids, and terpenes contributed to a downward trend after processing, but the maximum content of flavanones, phenylpropanes and polyphenols appeared in ZRP, and that of alcs. appeared in CG. These findings serve as promising perspectives for developing functional food in ZR, ZRP and CG.

Food Chemistry published new progress about Metabolomics. 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

Yayli, Nurettin; Oksuz, Enes; Korkmaz, Busra; Erik, Ishak; Fandakli, Seda; Faiz, Ozlem; Coskuncelebi, Kamil published the artcile< Volatile and phenolic contents, antimicrobial and tyrosinase activities of two endemic species Scorzonera pisidica and Scorzonera sandrasica L. grown in Turkey>, Application of C19H34O2, the main research area is Scorzonera pisidica volatile compound phenol tyrosinase.

Phytochem. anal. of two endemic Scorzonera pisidica Hub.-Mor. and Scorzonera sandrasica Hartvig & Strid species have not been mentioned before. In this work, volatile organic compounds, phenolic contents, antimicrobial, and tyrosinase inhibition activities of two endemic S. pisidica and S. sandrasica grown in Turkey were investigated. Aldehydes were the primary chem. class for the volatile organic compounds in the essential oils (EOs, 49.5%, and 44.9%) and SPME (85.8% and 56.9%) of S. pisidica and S. sandrasica, and aromatic compounds were the main class for the SPME of the n-hexane extracts of S. pisidica (86.9%) and S. sandrasica (86.3%), resp. The phenolic constituent anal. for the methanol extract of S. pisidica and S. sandrasica gave gallic acid (6.33 mg/g and 2.63 mg/g) as the primary compound The antimicrobial activity of the EOs and solvent extract (methanol and n-hexane) of S. pisidica and S. sandrasica were tested against nine microorganisms. Furthermore, the inhibitory potential for the methanol extract of the S. pisidica and S. sandrasica showed tyrosinase activity, and IC50values were found as 0.495 鍗?0073 娓璯/mL and 0.699 鍗?0.86 娓璯/mL, resp.

Records of Natural Products published new progress about Acids Role: BSU (Biological Study, Unclassified), PRP (Properties), BIOL (Biological Study). 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

Pasquier, Benoit; El-Ahmad, Youssef; Filoche-Romme, Bruno; Dureuil, Christine; Fassy, Florence; Abecassis, Pierre-Yves; Mathieu, Magali; Bertrand, Thomas; Benard, Tsiala; Barriere, Cedric; El Batti, Samira; Letallec, Jean-Philippe; Sonnefraud, Veronique; Brollo, Maurice; Delbarre, Laurence; Loyau, Veronique; Pilorge, Fabienne; Bertin, Luc; Richepin, Patrick; Arigon, Jerome; Labrosse, Jean-Robert; Clement, Jacques; Durand, Florence; Combet, Romain; Perraut, Pierre; Leroy, Vincent; Gay, Frederic; Lefrancois, Dominique; Bretin, Francois; Marquette, Jean-Pierre; Michot, Nadine; Caron, Anne; Castell, Christelle; Schio, Laurent; McCort, Gary; Goulaouic, Helene; Garcia-Echeverria, Carlos; Ronan, Baptiste published the artcile< Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-yl]-1-(3-methyl-2-oxobutyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors>, Category: esters-buliding-blocks, the main research area is dihydropyrimidopyrimidinone preparation phosphoinositide kinase inhibitor antitumor neoplasm.

Vps34 (the human class III phosphoinositide 3-kinase) is a lipid kinase involved in vesicle trafficking and autophagy and therefore constitutes an interesting target for cancer treatment. Because of the lack of specific Vps34 kinase inhibitors, the authors aimed to identify such compounds to further validate the role of this lipid kinase in cancer maintenance and progression. Herein, the authors report the discovery of a series of tetrahydropyrimidopyrimidinone derivatives Starting with hit compound I, medicinal chem. optimization led to compound 31. This mol. displays potent activity, an exquisite selectivity for Vps34 with excellent properties. The x-ray crystal structure of compound II in human Vps34 illustrates how the unique mol. features of the morpholine synthon bestows selectivity against class I PI3Ks. This mol. exhibits suitable in vivo mouse PK parameters and induces a sustained inhibition of Vps34 upon acute administration. Compound II constitutes an optimized Vps34 inhibitor that could be used to investigate human cancer biol.

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, Category: esters-buliding-blocks.

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

Guimaraes, Cristiano R. W.; Kopecky, David J.; Mihalic, Jeff; Shen, Shanling; Jeffries, Shawn; Thibault, Stephen T.; Chen, Xiaoqi; Walker, Nigel; Cardozo, Mario published the artcile< Thermodynamic Analysis of mRNA Cap Binding by the Human Initiation Factor eIF4E via Free Energy Perturbations>, Quality Control of 112-63-0, the main research area is mRNA cap translation initiation eIF4E free energy model human.

Eukaryotic mRNAs are appended at the 5′ end, with the 7-methylguanosine cap linked by a 5′-5′-triphosphate bridge to the first transcribed nucleoside (m7GpppX). Initiation of cap-dependent translation of mRNA requires direct interaction between the cap structure and the eukaryotic translation initiation factor eIF4E. Biophys. studies of the association between eIF4E and various cap analogs have demonstrated that m7GTP binds to the protein 閳?5.0 kcal/mol more favorably than unmethylated GTP. In this work, a thermodn. anal. of the binding process between eIF4E and several cap analogs has been conducted using Monte Carlo (MC) simulations in conjunction with free energy perturbation (FEP) calculations To address the role of the 7-Me group in the eIF4E/m7GpppX cap interaction, binding free energies have been computed for m7GTP, GTP, protonated GTP at N(7), the 7-methyldeazaguanosine 5′-triphosphate (m7DTP), and 7-deazaguanosine 5′-triphosphate (DTP) cap analogs. The MC/FEP simulations for the GTP閳姦7DTP transformation demonstrate that half of the binding free energy gain of m7GTP with respect to GTP can be attributed to favorable van der Waals interactions with Trp166 and reduced desolvation penalty due to the N(7) Me group. The Me group both eliminates the desolvation penalty of the N(7) atom upon binding and creates a larger cavity within the solvent that further facilitates the desolvation step. Anal. of the pair m7GTP-m7DTP suggests that the remaining gain in affinity is related to the pos. charge created on the guanine moiety due to the N(7) methylation. The charge provides favorable cation-锜?interactions with Trp56 and Trp102 and decreases the neg. mol. charge, which helps the transfer from the solvent, a more polar environment, to the protein.

Journal of the American Chemical Society published new progress about Cation-pi interaction. 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

Bayliak, Maria M.; Vatashchuk, Myroslava V.; Gospodaryov, Dmytro V.; Hurza, Viktoria V.; Demianchuk, Oleh I.; Ivanochko, Marian V.; Burdyliuk, Nadia I.; Storey, Kenneth B.; Lushchak, Oleh; Lushchak, Volodymyr I. published the artcile< High fat high fructose diet induces mild oxidative stress and reorganizes intermediary metabolism in male mouse liver: Alpha-ketoglutarate effects>, Application In Synthesis of 112-63-0, the main research area is oxidative stress high fat fructose diet alpha ketoglutarate metabolism; Alpha-ketoglutarate; Antioxidant enzymes; Fructose; Glycolysis; Liver; Oxidative stress.

Diets rich in fats and/or carbohydrates are used to study obesity and related metabolic complications. We studied the effects of a high fat high fructose diet (HFFD) on intermediary metabolism and the development of oxidative stress in mouse liver and tested the ability of alpha-ketoglutarate to prevent HFFD-induced changes. Male mice were fed a standard diet (10% kcal fat) or HFFD (45% kcal fat, 15% kcal fructose) with or without addition of 1% alpha-ketoglutarate (AKG) in drinking water for 8 wk. The HFFD had no effect on body mass but activated fructolysis and glycolysis and induced inflammation and oxidative stress with a concomitant increase in activity of antioxidant enzymes in the mouse liver. HFFD-fed mice also showed lower mRNA levels of pyruvate dehydrogenase kinase 4 (PDK4) and slightly increased intensity of mitochondrial respiration in liver compared to mice on the standard diet. No significant effects of HFFD on transcription of PDK2 and PGC1浼? a peroxisome proliferator-activated receptor co-activator-1浼? or protein levels of p-AMPK, an active form of AMP-activated protein kinase, were found. The addition of AKG to HFFD decreased oxidized glutathione levels, did not affect levels of lipid peroxides and PDK4 transcripts but increased activities of hexokinase and phosphofructokinase in mouse liver. Supplementation with AKG had weak modulating effects on HFFD-induced oxidative stress and changes in energetics in mouse liver. Our research expands the understanding of diet-induced metabolic switching and elucidates further roles of alpha-ketoglutarate as a metabolic regulator.

Biochimica et Biophysica Acta, General Subjects published new progress about Antioxidant enzymes Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

Keshavarz-Maleki, Razieh; Shalmani, Armin Azadkhah; Gholami, Maryam; Sabzevari, Samin; Rahimzadegan, Milad; Jeivad, Fereshteh; Sabzevari, Omid published the artcile< The Ameliorative Effect of Monomethyl Fumarate and Silymarin Against Valproic Acid Induced Hepatotoxicity in Rats>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is hepatotoxicity monomethyl fumarate silymarin.

Valproic acid (VPA) is a widely-used antiepileptic drug that has been extensively reported to cause hepatotoxicity. Monomethyl fumarate (MMF) is a compound that has been reported to produce hepatoprotective and antioxidant effects. This study was aimed at studying the alleviative effects of MMF on VPA-induced hepatotoxicity in rats. The test animals were divided into nine groups, each of six rats, as different cases and one group as control. VPA was i.p. administered (500 mg/kg) once daily for 7 days. The VPA-exposed rats were then treated with two doses (25 and 50 mg/kg) of MMF and silymarin. Biochem. parameters and oxidative stress markers as well as histopathol. examination were employed to evaluate the effect of these compounds on VPAhepatotoxicity. VPAadministration caused hepatotoxicity in rats as evidenced by significant increase in the levels of aminotransferase (AST), alanine transaminase (ALT), alk. phosphatase (ALP), lactate dehydrogenase (LDH), liver malondialdehyde (MDA), and significant reduction in glutathione (GSH) content compared to values in the control group. The administration of MMF or silymarin attenuated VPA-induced oxidative hepatotoxicity as evidenced by significant decrease in serum liver function tests together with marked improvement in oxidative stress markers. Thus, the treatment with MMF and/or silymarin improved histopathol. patterns of liver tissue to a considerable degree. MMF treatment can exert protective effects (similar to those of silymarin) against VPA-induced hepatotoxicity. This amelioration can result from a considerable reduction of the oxidative stress. Moreover, a combination therapy was more effective than MMF or silymarin monotherapy alone. A dose of 25 mg/kg was as effective as 50 mg/kg for either MMF or silymarin.

Pharmaceutical Chemistry Journal published new progress about Blood serum. 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

Bei, Jiaxin; Zhu, Shaoping; Du, Minqun; Hu, Zhihui; Tang, Zheng; Chen, Cailing; Yang, Kevin; Zhong, Ying; Zhu, Xianhong; Li, Wangen; Hu, Zhuoqing published the artcile< Integrative analysis of multiomics data identified acetylation as key variable of excessive energy metabolism in hyperthyroidism-induced osteoporosis rats>, Category: esters-buliding-blocks, the main research area is hyperthyroidism osteoporosis rat acetylation energy metabolism multiomics; Acetylation; Hyperthyroidism; Metabolism; Osteoporosis.

Results from the previous experiment have demonstrated bone loss and excess metabolism in Hyperthyroidism-induced rats. Thus, an underlying relationship between metabolism and bone loss was speculated. In addition, previous studies have shown the influence of acetylation on metabolism in tissues and diseases. The hypothesis from this case study suggests that excessive metabolism is induced by acetylation of vital metabolism enzymes. In the case study, a HYP-induced osteoporosis rat model was used and the glucose metabolite was tested through the acetylation of proteins by the mass spectrometer. The results showed that pivotal enzymes of Glycolysis-Tricarboxylic acid cycle-Oxidative phosphorylation were acetylated along with upregulated metabolites. With all acetyly-lysine sites of related enzymes listed, the results in this study showed that bone loss in HYP rats was accompanied by the upregulation of CREB-binding protein (Crebbp, CBP). Furthermore, it is also indicated that CBP has a close relationship with the enhancement of LDHA which promotes glucose metabolism Acetylation is highly correlated with excessive energy metabolism in HYP-induced osteoporotic rats, where a representation relationship between CBP and LDHA is demonstrated. Hyperthyroidism may lead to osteoporosis. Our study found an interesting phenomenon of hyperthyroidism induced-osteoporosis is that osteoporosis is accompanied by excessive glucose metabolism In this process, some mol. mechanisms are still unclear. This study indicates a high degree of acetylation of metabolic enzymes, which may be closely related to excessive glucose metabolism The relationship between CBP and LDHA was also investigated in this study, which showed that CBP and LDHA had some extent interaction. Glucose metabolism and acetylation maybe all associated with hyperthyroidism induced-osteoporosis. This data provides new insights into the mol. mechanisms of hyperthyroidism induced-osteoporosis.

Journal of Proteomics published new progress about Acetylation. 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

Meier, Herbert; Gerold, Jurgen; Kolshorn, Heinz; Baumann, Wolfram; Bletz, Michael published the artcile< Oligo(phenylenevinylene)s with terminal donor-acceptor substitution>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is polyphenylenevinylene oligomer donor acceptor termination mol orbital absorption; optical property polyarylenealkenylene oligomer.

Donor/acceptor-terminated oligo(phenylenevinylene)s of general formula X-(C6H4-CH=CH-)n-C6H4-R (X = bis(2-hexyloctyl)amine as donor; R = H, CN, NO2, CHO as acceptors; n = 1-4, all-trans configuration) were synthesized. The dependence of long-wavelength absorption maxima from chain length was studied in CHCl3 exhibiting convergence behavior above n = 4 (convergence limit was calculated). Results are discussed with respect to HOMO/LUMO theory. Optical and electro-optical properties (intensity, oscillator strength, transition moment, dipole moments of ground and electronically excited state) of oligomers of NO2-series were also determined

Angewandte Chemie, International Edition published new progress about Absorption (long-wave). 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

Zhang, Lili; Han, Lin; Ma, Jiang; Wu, Tingchao; Wei, Yu; Zhao, Linhua; Tong, Xiaolin published the artcile< Exploring the synergistic and complementary effects of berberine and paeoniflorin in the treatment of type 2 diabetes mellitus by network pharmacology>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is berberine paeoniflorin antidiabetic network phamacol type2diabetes mellitus; Berberine; Network pharmacology; Paeoniflorin; Synergy and complementary; Type 2 diabetes mellitus.

Investigation of the synergistic and complementary effects is vital but difficult for Chinese herbal medicine. We explored the synergistic and complementary mechanisms of berberine (BBR) and paeoniflorin (PF) in the treatment of type 2 diabetes mellitus (T2DM) through network pharmacol. and mol. docking. We identified putative targets of BBR, PF, and T2DM, and constructed a protein-protein interaction (PPI) network. Gene ontol. and Kyoto encyclopedia of gene and genomes pathway enrichment anal. and mol. docking were used to predict the mol. mechanisms. A diabetes model was induced by a high-fat diet to verify the therapeutic effect. Ninety-two targets of BBR + PF in the treatment of T2DM were identified, which were considered as synergistic targets. Fifty-nine complementary targets of BBR-T2DM and 47 of PF-T2DM were identified. PPI network anal. showed that JAK2, ESR1, IFG1R, STAT3, EGFR, MAPK1, and AKT1 are closely related to T2DM. The enrichment anal. further showed that the synergistic targets mainly involved the AGE-RAGE signaling pathway in diabetic complications, FOXO, AMPK, and VEGF signaling pathways, and glycolysis/gluconeogenesis. AKT1, JAK2, and STAT3, which are common targets of the AGE-RAGE signaling pathway in diabetic complications and the FOXO signaling pathway, were chosen for docking with BBR and PF, resp., and showed good binding activities. BBR + PF significantly reduced weight and fasting blood glucose, and alleviated insulin resistance. Moreover, BBR + PF promoted the phosphorylation of AKT1, JAK2, and STAT3. This study provides information to understand the synergistic and complementary mechanism of BBR + PF against T2DM, and may facilitate the development of new anti-T2DM drugs.

European Journal of Pharmacology published new progress about Antidiabetic 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