Category: 112-63-0

Woodhead, Andrew J.; Angove, Hayley; Carr, Maria G.; Chessari, Gianni; Congreve, Miles; Coyle, Joseph E.; Cosme, Jose; Graham, Brent; Day, Philip J.; Downham, Robert; Fazal, Lynsey; Feltell, Ruth; Figueroa, Eva; Frederickson, Martyn; Lewis, Jonathan; McMenamin, Rachel; Murray, Christopher W.; O’Brien, M. Alistair; Parra, Lina; Patel, Sahil; Phillips, Theresa; Rees, David C.; Rich, Sharna; Smith, Donna-Michelle; Trewartha, Gary; Vinkovic, Mladen; Williams, Brian; Woolford, Alison J.-A. published the artcile< Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a Novel Inhibitor of the Molecular Chaperone Hsp90 by Fragment Based Drug Design>, Category: esters-buliding-blocks, the main research area is preparation dihydroxybenzamide AT13387 cancer Hsp90.

Inhibitors of the mol. chaperone heat shock protein 90 (Hsp90) are currently generating significant interest in clin. development as potential treatments for cancer. In a preceding publication (DOI: 10.1021/jm100059d) we describe Astex’s approach to screening fragments against Hsp90 and the subsequent optimization of two hits into leads with inhibitory activities in the low nanomolar range. This paper describes the structure guided optimization of the 2,4-dihydroxybenzamide lead mol. 1 and details some of the drug discovery strategies employed in the identification of AT13387 (35), which has progressed through preclin. development and is currently being tested in man.

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

Muftakhov, M. V.; Shchukin, P. V.; Khatymov, R. V. published the artcile< Thymidine and stavudine molecules in reactions with low-energy electrons>, Computed Properties of 112-63-0, the main research area is thymidine stavudine fragmentation reaction mechanism PES radiosensitizer.

The neg. ion formation and fragmentation processes in thymidine and stavudine were studied by means of resonant electron capture mass spectrometry in the electron energy range 0-14 eV. Stavudine is a nucleoside analog of thymidine, that differs from the latter by the presence of double bond in the deoxyribose moiety. In the energy range below 5 eV transient neg. ions have been found to arise via shape resonances resulting in electron attachment into the empty π*-orbitals. The main fragmentation channels for mol. ions are the H-atom loss and N-glycosidic bond cleavage between sugar and a nucleobase moieties. The dissociative electron attachment cross sections for the fragment neg. ions were measured. The structures for some observed anions and neutral counterparts were suggested basing on the thermochem. approach for dissociative reactions energy balance under the support of quantum chem. calculations The processes of ion formation in thymidine were found to be similar to those revealed previously for deoxyuridine nucleoside. In contrast, very strong dissociative channel was found for stavudine yielding [M-R]- ions (where R is a sugar moiety) in the energy range < 3 eV. The efficient fragmentation found for stavudine in the low energy electron attachment reactions may have implications for the design of nucleoside radiosensitizers for cancer therapy. Radiation Physics and Chemistry published new progress about Bond energy. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Barrit, Thibault; Porcher, Alexis; Cukier, Caroline; Satour, Pascale; Guillemette, Thomas; Limami, Anis M.; Teulat, Beatrice; Campion, Claire; Planchet, Elisabeth published the artcile< Nitrogen nutrition modifies the susceptibility of Arabidopsis thaliana to the necrotrophic fungus, Alternaria brassicicola>, COA of Formula: C19H34O2, the main research area is Arabidopsis thaliana Alternaria brassicicola nitrogen nutrition susceptibility necrotrophic fungus.

The impact of the form of nitrogen (N) source (nitrate vs. ammonium) on the susceptibility to Alternaria brassicicola, a necrotrophic fungus, has been examined in Arabidopsis thaliana at the rosette stage. Nitrate nutrition was found to increase fungal lesions considerably. There was a similar induction of defense gene expression following infection under both N nutritions, except for the phytoalexin deficient 3 gene, which was overexpressed with nitrate. Nitrate also led to a greater nitric oxide production occurring in planta during the saprophytic growth and lower nitrate reductase (NIA1) expression 7 days after inoculation. This suggests that nitrate reductase-dependent nitric oxide production had a dual role, whereby, despite its known role in the generic response to pathogens, it affected plant metabolism, and this facilitated fungal infection. In ammonium-grown plants, infection with A. brassicicola induced a stronger gene expression of ammonium transporters and significantly reduced the initially high ammonium content in the leaves. There was a significant interaction between N source and inoculation (presence vs. absence of the fungus) on the total amino acid content, while N nutrition reconfigured the spectrum of major amino acids. Typically, a higher content of total amino acid, mainly due to a stronger increase in asparagine and glutamine, is observed under ammonium nutrition while, in nitrate-fed plants, glutamate was the only amino acid which content increased significantly after fungal inoculation. N nutrition thus appears to control fungal infection via a complex set of signalling and nutritional events, shedding light on how nitrate availability can modulate disease susceptibility.

Physiologia Plantarum published new progress about Alternaria brassicicola. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ferretti, Francesco; Barraco, Edoardo; Gatti, Claudia; Ramadan, Doaa R.; Ragaini, Fabio published the artcile< Palladium/iodide catalyzed oxidative carbonylation of aniline to diphenylurea: Effect of ppm amounts of iron salts>, Quality Control of 112-63-0, the main research area is aniline palladium iodide catalyst oxidative carbonylation; diphenylurea preparation.

The palladium/iodide couple was the most investigated catalytic system for the oxidative carbonylation of amines to give ureas or carbamates. In reinvestigating it was found that the most prominent role of iodide is to etch the stainless steel of the autoclave employed in most of previous works, releasing in solution small amounts of iron salts. The latter were much better promoters than iodide itself. Iron and iodide had a complex interplay and depending on relative ratios, can even deactivate each other. The presence of a halide was beneficial, but chloride was better than iodide in this respect. The ideal Fe/Pd ratio is around 10, but even an equimolar amount of iron with respect to palladium (0.02 mol% with respect to aniline, corresponding to 12 ppm Fe with respect to the whole solution) was sufficient to boost the activity of the catalytic system. Such small amount may also come from Fe(CO)5 impurities present in the CO gas when stored in steel tanks. The role of the solvent was also investigated. It was found that the reason for the better selectivity in some cases was at least in part due to a hydrolysis of the solvent itself, which removed the coproduced water.

Journal of Catalysis published new progress about Anilines 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

Zheng, Kewang; Xiao, Guanlin; Guo, Tao; Ding, Yalan; Wang, Chengdong; Loh, Teck-Peng; Wu, Xiaojin published the artcile< Intermolecular Reductive Heck Reaction of Unactivated Aliphatic Alkenes with Organohalides>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is aryl carboxamide regioselective preparation; alkene organohalide reductive Hexk reaction palladium catalyst.

A general intermol. reductive Heck reaction of organohalides with both terminal and internal unactivated aliphatic alkenes has been first realized in high yield with complete anti-Markovnikov selectivity. The challenging vinyl bromides, aryl chlorides, and polysubstituted internal alkenes were first applied. More than 100 remote carbofunctionalized alkyl carboxylic acid derivatives were rapidly synthesized from easily accessible starting materials. The synthesis of drug mols. has further demonstrated the wide synthetic utility of this scalable strategy. Preliminary mechanistic studies are consistent with the proposed catalytic cycle.

Organic Letters published new progress about Alkenes 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, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate.

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

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

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

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

Ban, Qingfu; Li, Yan; Qin, Yusheng; Zheng, Yaochen; Kong, Jie published the artcile< Intramolecular cyclization in hyperbranched star copolymers via one-pot Am+Bn+C1 step-growth polymerization resulting in decreased cyclic defect>, Category: esters-buliding-blocks, the main research area is intramol cyclization hyperbranched polyester polyacetylene polyoxyalkylene self assembly; step growth polymerization hyperbranched.

Hyperbranched star copolymers are important soft materials that have been employed for aqueous self-assembly and bioapplication, but their one-pot one-batch synthesis strategy and relevant topol. are rarely discussed. In this contribution, we produce hyperbranched star poly(vinyl ether ester)s (mPEG-hb-PVEEs) amphiphiles with multimodal mol. weight distribution via one-pot one-batch Am+Bn+C1 (m ≥ 2, n ≥ 3) step-growth polymerization Based on the topol. anal. of these hyperbranched star copolymers, a convenient expression of the number ratio of monomeric structural units (NA/NB) is deduced to describe the cyclic defect of intramol. cyclization only by using proton NMR spectroscopy. The introduction of long-chain terminators and the change in the molar feed ratio of A2:B3:C1 considerably affect the NA/NB so as to give rise to increased influence of number of macromols. and decreased influence of intramol. cyclization, which are then responsible for an aqueous self-assembly behavior of mPEG-hb-PVEEs amphiphiles. Overall, this study opens new possibilities for the precise description of intramol. cyclization and controllable synthesis of hyperbranched star copolymers via one-pot Am+Bn+C1 step-growth polymerization

European Polymer Journal published new progress about Amphiphiles. 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