Category: 112-63-0

Ghersetti, S.; Giorgianni, S.; Minari, M.; Spunta, G. published the artcile< Far infrared features of quinoline N-oxides. Intramolecular vibrations and hydrogen bonding>, Synthetic Route of 112-63-0, the main research area is quinoline oxide phenol IR; hydrogen bond phenol quinoline oxide; complex phenol quinoline oxide.

The far ir spectra of quinoline N-oxide and its 2-, 3-, and 4-Me, -MeO, -Cl, and -Br derivatives at 40-400 cm-1 in CHCl3-CCl4 (1:1) in the absence and presence of PhOH were recorded and assigned. The strong bands at 160 and 320-40 cm-1 were assigned to an out-of-plane bending mode (γNO) and an in-plane bending vibration (βNO), resp. The stretching modes of the H bonding vibration of the complexes with PhOH were determined and were linearly related to those for pyridine N-oxides for the 3- and 4-substituted derivatives

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Hydrogen bond. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Synthetic Route of 112-63-0.

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

Fonseca, Emanuella M. B.; Trivella, Daniela B. B.; Scorsato, Valeria; Dias, Mariana P.; Bazzo, Natalia L.; Mandapati, Kishore R.; de Oliveira, Fabio L.; Ferreira-Halder, Carmen V.; Pilli, Ronaldo A.; Miranda, Paulo C. M. L.; Aparicio, Ricardo published the artcile< Crystal structures of the apo form and a complex of human LMW-PTP with a phosphonic acid provide new evidence of a secondary site potentially related to the anchorage of natural substrates>, Electric Literature of 112-63-0, the main research area is phosphonic acid binding secondary site LMW phosphatase crystal structure; Anticancer drugs; Crystal structure; Enzyme kinetics; LMW-PTP; Phosphatase inhibitors; Structure-based drug design.

Low mol. weight protein tyrosine phosphatases (LMW-PTP, EC 3.1.3.48) are a family of single-domain enzymes with mol. weight up to 18 kDa, expressed in different tissues and considered attractive pharmacol. targets for cancer chemotherapy. Despite this, few LMW-PTP inhibitors have been described to date, and the structural information on LMW-PTP druggable binding sites is scarce. In this study, a small series of phosphonic acids were designed based on a new crystallog. structure of LMW-PTP complexed with benzylsulfonic acid, determined at 2.1 Å. In silico docking was used as a tool to interpret the structural and enzyme kinetics data, as well as to design new analogs. From the synthesized series, two compounds were found to act as competitive inhibitors, with inhibition constants of 0.124 and 0.047 mM. We also report the 2.4 Å structure of another complex in which LMW-PTP is bound to benzylphosphonic acid, and a structure of apo LMW-PTP determined at 2.3 Å resolution Although no appreciable conformation changes were observed, in the latter structures, amino acid residues from an expression tag were found bound to a hydrophobic region at the protein surface. This regions is neighbored by pos. charged residues, adjacent to the active site pocket, suggesting that this region might be not a mere artifact of crystal contacts but an indication of a possible anchoring region for the natural substrate-which is a phosphorylated protein.

Bioorganic & Medicinal Chemistry published new progress about Crystal structure. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Oberkersch, Roxana E.; Pontarin, Giovanna; Astone, Matteo; Spizzotin, Marianna; Arslanbaeva, Liaisan; Tosi, Giovanni; Panieri, Emiliano; Ricciardi, Sara; Allega, Maria Francesca; Brossa, Alessia; Grumati, Paolo; Bussolati, Benedetta; Biffo, Stefano; Tardito, Saverio; Santoro, Massimo M. published the artcile< Aspartate metabolism in endothelial cells activates the mTORC1 pathway to initiate translation during angiogenesis>, Computed Properties of 112-63-0, the main research area is endothelial cell angiogenesis mTORC1 aspartate metabolism translation; angiogenesis; aspartate metabolism; endothelial metabolism; mTOR signalling; tumor angiogenesis.

Angiogenesis, the active formation of new blood vessels from pre-existing ones, is a complex and demanding biol. process that plays an important role in physiol. as well as pathol. settings. Recent evidence supports cell metabolism as a critical regulator of angiogenesis. However, whether and how cell metabolism regulates endothelial growth factor receptor levels and nucleotide synthesis remains elusive. We here shown in both human cell lines and mouse models that during developmental and pathol. angiogenesis, endothelial cells (ECs) use glutaminolysis-derived glutamate to produce aspartate (Asp) via aspartate aminotransferase (AST/GOT). Asp leads to mTORC1 activation which, in turn, regulates endothelial translation machinery for VEGFR2 and FGFR1 synthesis. Asp-dependent mTORC1 pathway activation also regulates de novo pyrimidine synthesis in angiogenic ECs. These findings identify glutaminolysis-derived Asp as a regulator of mTORC1-dependent endothelial translation and pyrimidine synthesis. Our studies may help overcome anti-VEGF therapy resistance by targeting endothelial growth factor receptor translation.

Developmental Cell published new progress about Angiogenesis. 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

Fiorito, Jole; Vendome, Jeremie; Saeed, Faisal; Staniszewski, Agnieszka; Zhang, Hong; Yan, Shijun; Deng, Shi-Xian; Arancio, Ottavio; Landry, Donald W. published the artcile< Identification of a Novel 1,2,3,4-Tetrahydrobenzo[b][1,6]naphthyridine Analogue as a Potent Phosphodiesterase 5 Inhibitor with Improved Aqueous Solubility for the Treatment of Alzheimer's Disease>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is tetrahydrobenzonaphthyridine phosphodiesterase inhibitor solubility antialzheimer Alzheimer.

Phosphodiesterase 5 (PDE5) hydrolyzes cGMP leading to increased levels of the cAMP response element binding protein (CREB), a transcriptional factor involved with learning and memory processes. The authors previously reported potent quinoline-based PDE5 inhibitors (PDE5Is) for the treatment of Alzheimer’s disease (AD). However, the low aqueous solubility rendered them undesirable drug candidates. Here the authors report a series of novel PDE5Is with two new scaffolds, 1,2,3,4-tetrahydrobenzo[b][1,6]naphthyridine and 2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one. Among them, compound I, the most potent compound, has an excellent in vitro IC50 (0.056 nM) and improved aqueous solubility as well as good efficacy in a mouse model of AD. Furthermore, the authors are proposing two plausible binding modes obtained through in silico docking, which provide insights into the structural basis of the activity of the two series of compounds reported herein.

Journal of Medicinal Chemistry published new progress about Alzheimer disease. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Wang, Peng-Zi; He, Bin-Qing; Cheng, Ying; Chen, Jia-Rong; Xiao, Wen-Jing published the artcile< Radical C-C Bond Cleavage/Addition Cascade of Benzyl Cycloketone Oxime Ethers Enabled by Photogenerated Cyclic Iminyl Radicals>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is radical carbon carbon bond cleavage addition cascade reaction; cascade reaction benzyl cycloketone oxime ether alkene; photogenerated cyclic iminyl radical oxo nitrile preparation.

A light-driven, metal-free, and iminyl radical-mediated ring-opening C-C bond cleavage/addition cascade of O-4-methoxybenzyl oxime ethers and alkenes is described for the first time. The reaction shows a broad substrate scope and high functional group compatibility with both components, giving the corresponding valuable oxo nitriles in generally good yields. Key to the success of this protocol is the generation of cyclic iminyl radicals from the O-4-methoxybenzyl oxime ethers via a photocatalytic hydrogen atom transfer (HAT) process. The proposed main pathway is also supported by the preliminary mechanistic studies.

Organic Letters published new progress about Addition reaction. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

Tzou, Philip L.; Descamps, Diane; Rhee, Soo-Yon; Raugi, Dana N.; Charpentier, Charlotte; Taveira, Nuno; Smith, Robert A.; Soriano, Vicente; de Mendoza, Carmen; Holmes, Susan P.; Gottlieb, Geoffrey S.; Shafer, Robert W. published the artcile< Expanded spectrum of antiretroviral-selected mutations in human immunodeficiency virus type 2>, Product Details of C19H34O2, the main research area is meta analysis antiretroviral mutation human immunodeficiency virus type 2; HIV-2; drug resistance; integrase strand transfer inhibitors; mutations; nucleoside RT inhibitors; protease inhibitors.

Meta-anal. of HIV-1 and HIV-2 differ in their antiretroviral (ARV) susceptibilities and drug resistance mutations (DRMs). We analyzed published HIV-2 pol sequences to identify HIV-2 treatment-selected mutations (TSMs). Mutation prevalences were determined by HIV-2 group and ARV status. Nonpolymorphic mutations were those in <1% of ARV-naive persons. TSMs were those associated with ARV therapy after multiple comparisons adjustment. We analyzed protease (PR) sequences from 483 PR inhibitor (PI)-naive and 232 PI-treated persons; RT sequences from 333 nucleoside RT inhibitor (NRTI)-naive and 252 NRTI-treated persons; and integrase (IN) sequences from 236 IN inhibitor (INSTI)-naive and 60 INSTI-treated persons. In PR, 12 nonpolymorphic TSMs occurred in ≥11 persons: V33I, K45R, V47A, I50V, I54M, T56V, V62A, A73G, I82F, I84V, F85L, L90M. In RT, 9 nonpolymorphic TSMs occurred in ≥10 persons: K40R, A62V, K70R, Y115F, Q151M, M184VI, S215Y. In IN, 11 nonpolymorphic TSMs occurred in ≥4 persons: Q91R, E92AQ, T97A, G140S, Y143G, Q148R, A153G, N155H, H156R, R231 5-amino acid insertions. Nine of 32 nonpolymorphic TSMs were previously unreported. This meta-anal. confirmed the ARV association of previously reported HIV-2 DRMs and identified novel TSMs. Genotypic and phenotypic studies of HIV-2 TSMs will improve approaches to predicting HIV-2 ARV susceptibility and treating HIV-2-infected persons. Journal of Infectious Diseases published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 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

He, Zemin; Yu, Ping; Zhao, Yuzhen; Zhang, Huimin; Zhang, Yongming; Kang, Xiaoxi; Zhang, Haiquan; Sadeghzadeh, Seyed Mohsen published the artcile< PrVO4/SnD NPs as a Nanocatalyst for Carbon Dioxide Fixation to Synthesis Benzimidazoles and 2-Oxazolidinones>, Electric Literature of 112-63-0, the main research area is PrVO4 SnD nanocatalyst carbon dioxide fixation benzimidazole oxazolidinone.

Recently CO2 stabilization has received a great deal of attention because of its probable applications as a rich C1 resource and the synthesis of several fine chems. can be accomplished through this stabilization. In this study, Sn(IV) doping dendritic fibrous nanosilica (SnD) supported PrVO4 nanoparticles as a catalyst (PrVO4/SnD) was synthesized by a in-situ procedure. The SnD with the ratios of Si/Sn in a variety of 6 to 40 were acquired through direct hydrothermal synthesis (DHS), and PrVO4 NPs on the surfaces of SnD were reduced in-situ. X-Ray diffraction (XRD), Scanning electron microscope (SEM), Fourier transform IR spectroscopy (FT-IR), transmission electron microscopy (TEM), and X-ray energy dispersive spectroscopy (EDS) were deployed for identifying the PrVO4/SnD. It is potentially a highly dynamic catalyst in the stabilization of CO2 for the production of 2-oxazolidinones and benzimidazoles. In addition, the catalyst is very easy to recycle and reuse without significant loss of active site Cu metal.

Catalysis Letters published new progress about Carbon sequestration. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Electric Literature of 112-63-0.

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

Sun, Zhonghe; Mi, Xing; Yu, Yanan; Shi, Wencheng; Feng, Anchao; Moad, Graeme; Thang, San H. published the artcile< ""All-PVC"" Flexible Poly(vinyl Chloride): Nonmigratory Star-Poly(vinyl Chloride) as Plasticizers for PVC by RAFT Polymerization>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is PVC flexible polyvinyl chloride polyvinyl plasticizer RAFT polymerization.

Xanthate-mediated RAFT polymerization has been used to prepare 3-star and 4-star-poly(vinyl chloride) (star-PVC) with a number average molar mass (Mn) in the range of 1 to 7 kg mol-1. The Tg of star-PVC reduces with molar mass and with the number of arms. The star-PVC have substantially lower glass-transition temperatures (Tg) than that of linear PVC of similar Mn, with the Tg of low-molar mass 4-star-PVC being -7.4°C. The star-PVC are effective in lowering the Tg of blends with com. PVC when added at 10-30 weight % PVC. When added even at 10 weight %, they are effective in improving the ductility of PVC with an elongation at break (EB) of ~350% (4-star-PVC) and ~300% (3-star-PVC) relative to com. PVC, which is substantially higher than that for PVC conventionally plasticized with 30 weight % dioctyl phthalate under similar conditions (EB ~160%). Importantly, the star-PVC, despite their low molar mass, do not migrate from the PVC blends when tested under standard conditions. The performance of the star-PVC as non-migratory plasticizers for PVC demonstrates the potential for an “”all-PVC”” flexible PVC.

Macromolecules (Washington, DC, United States) published new progress about Ductility. 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

Tchani, G.; Baziard-Mouysset, G.; Younes, S.; Bellan, J.; Payard, M.; Stigliani, J. L.; Grassy, G.; Bonnafous, R.; Tisne-Versailles, J. published the artcile< Evaluation of calcium inhibitory activity of a series of diethyl benzylphosphonates>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is calcium antagonist benzylphosphonate; structure activity relationship calcium channel blocking; cardiodepressive benzylphosphonate.

Thirty-nine di-Et benzylphosphonates (12 newly prepared) related to Fostedil were evaluated as calcium antagonists, using the inhibition test on aortic contraction in the rabbit, which was more selective than the neg. inotropic activity test on guinea-pig left atrial muscle. Six compounds had weak activity compared with Fostedil. Structure-activity relationships indicated a certain lipophilic influence; no correlation was found with electronic parameters. The prerequisite structure to obtain active products seems to require two conjugated aromatic rings separated by an optimal distance.

European Journal of Medicinal Chemistry published new progress about Calcium channel blockers. 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

Fu, Kun; Liu, Chenxu; Wang, Lemeng; Huang, Xiayu; Fu, Dong published the artcile< Performance and mechanism of CO2 absorption in 2-ethylhexan-1-amine + glyme non-aqueous solutions>, SDS of cas: 112-63-0, the main research area is carbon dioxide glyme ethylhexan amine absorption.

In this work, novel non-aqueous absorbents composed of 2-ethylhexan-1-amine (EHA) and glyme were proposed for CO2 capture. The absorption performance of CO2 in EHA + diglyme, EHA + triglyme and EHA + tetraglyme non-aqueous solutions was investigated and the viscosities (η) of the CO2-saturated absorbents were measured. Besides the experiments, kinetic models were applied to correlate the CO2 absorption. The activation energy (Ea) was obtained from Arrhenius equation, and the absorption mechanism was deduced. The results showed that both Lagergren model and Avrami model can accurately correlate and predict the time-dependent absorption amount, thus an optimized composition under which excellent absorption performance and relatively low η and Ea can be simultaneously achieved was determined Compared to water-based absorbents like MEA, the optimized non-aqueous absorbents take the advantages of better absorption performance and lower activation energy. Moreover, the glyme solvents have about 50% lower sp. heat capacities and much higher b.ps. (≥435 K) than water, which is expected to greatly reduce the sensible heat and the latent heat of the solvent during regeneration. Therefore, the proposed novel absorbents have promising industrial application potential in the CO2 capture process.

Energy (Oxford, United Kingdom) published new progress about Absorption. 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