Category: 112-63-0

Jiang, Xinglong; Prasad, Kapa; Repic, Oljan published the artcile< Synthesis of fused bicyclo[3.2.2]nonenones>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is benzamide methyl lithiation substitution cyclohexanecarboxylate; pyridine amide methyl lithiation substitution cyclohexanecarboxylate; isoquinolinone preparation; naphthyridinone annelated bicyclononenone preparation; fused heterocycle preparation.

The 2H-isoquinolin-1-one- and 7H-[1,7]naphthyridin-8-one-annelated title compounds were prepared from 2-methylbenzoic acid t-butylamide or 3-methyl-2-pyridinecarboxylic acid t-butylamide via lithiation, reaction of intermediate carbanions with monomethyl 1,4-cyclohexanedicarboxylate, and dehydration/cyclization of resulting 2- or 3-(4-carboxycyclohexanylcarbonyl)methyl derivatives with polyphosphoric acid.

Organic Preparations and Procedures International published new progress about Fused heterocyclic compounds 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

Maddox, Sean M.; Dawson, Gregory A.; Rochester, Nicholas C.; Ayonon, Arianna B.; Moore, Curtis E.; Rheingold, Arnold L.; Gustafson, Jeffrey L. published the artcile< Enantioselective Synthesis of Biaryl Atropisomers via the Addition of Thiophenols into Aryl-Naphthoquinones>, Product Details of C19H34O2, the main research area is enantioselective synthesis biaryl atropisomer thiophenol addition arylnaphthoquinone; aryl-naphthoquinone; atroposelective; biaryl atropisomers; cinchona alkaloid; thiophenol.

We report a cinchona alkaloid catalyzed addition of thiophenol into rapidly interconverting aryl-naphthoquinones, resulting in stable biaryl atropisomers upon reductive methylation. An array of thiophenols and naphthoquinone substrates were evaluated, and we observed selectivities up to 98.5:1.5 e.r. Control of the quinone redox properties allowed us to study the stereochem. stabilities of each oxidation state of the substrates. The resulting enantioenriched products can also be moved on via an SNAr-like reaction sequence to arrive at stable derivatives with excellent enantioretention.

ACS Catalysis published new progress about Atropisomers. 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

Ognyanov, Vassil I.; Balan, Chenera; Bannon, Anthony W.; Bo, Yunxin; Dominguez, Celia; Fotsch, Christopher; Gore, Vijay K.; Klionsky, Lana; Ma, Vu V.; Qian, Yi-Xin; Tamir, Rami; Wang, Xianghong; Xi, Ning; Xu, Shimin; Zhu, Dawn; Gavva, Narender R.; Treanor, James J. S.; Norman, Mark H. published the artcile< Design of potent, orally available antagonists of the transient receptor potential vanilloid 1. Structure-activity relationships of 2-piperazin-1-yl-1H-benzimidazoles>, HPLC of Formula: 112-63-0, the main research area is benzimidazole piperazinyl preparation transient receptor potential vanilloid antagonist antihyperalgesic.

The vanilloid receptor-1 (VR1 or TRPV1) is a membrane-bound, nonselective cation channel that is predominantly expressed by peripheral neurons sensing painful stimuli. TRPV1 antagonists produce antihyperalgesic effects in animal models of inflammatory and neuropathic pain. The synthesis and the structure-activity relationships of a series of 2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzo[d]imidazoles I [R1 = H, Me3SiCH2CH2OCH2, PhCH2; R2 = F, Cl, Br, F3C, Me, CN, Me3C, MeO2C, etc.; R3 = H, 4-(2-thiazolyl), 4-(4-pyridyl), 5-(4-F3CC6H4), etc.; R4 = H, Me; R5 = H, H2N, MeCHOH, H2C:CH, etc.; R6 = H, Cl, F3C, etc.] and analogs as novel TRPV1 antagonists have been described. I [R1 = H; R2 = F3C; R3 = 4-(3,4,5-F3C6H2); R4 = (R)-Me; R5 = HOCH2CHOH; R6 = Cl; (II)] was among the most potent analogs in this series. This compound was orally bioavailable in rats and was efficacious in blocking capsaicin-induced flinch in rats in a dose-dependent manner. II also reversed thermal hyperalgesia in a model of inflammatory pain, which was induced by complete Freund’s adjuvant (CFA).

Journal of Medicinal Chemistry published new progress about Analgesics. 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

Min, Xu; Dingchao, Xiang; Xun, Zhu; Cunzu, Wang published the artcile< Preliminary Study on Relationship Between Temozolomide Chemotherapy-Resistant Cells and Stem Cells in Gliomas.>, SDS of cas: 112-63-0, the main research area is .

AIM: To study the relationship between temozolomide (TMZ) chemotherapy-resistant cells and stem cells in gliomas. MATERIAL AND METHODS: The U251 glioma cell line was exposed to TMZ to generate TMZ-resistant colonies (U251/TMZ cell line) using the pulse drug method. The TMZ sensitivity of U251/TMZ and parental cells was examined using an MTT assay. The cell growth curve was drawn to show the growth of the two kinds of cells. Glioma stem cells (GSCs) were cultured and differentiated in vitro. Immunofluorescence assays were used to identify the expression of CD133, Nestin, and ABCG2 in U251/TM and U251 cells. Western blot analysis was used to analyse protein expression levels. RESULTS: The U251/TMZ cell line was successfully cultured in vitro. The IC50 value of the U251/TMZ cell line is 8.1 times that of the parental U251 cell line (t=-63.28, p=0.00). The doubling time of U251/TMZ cells was long compared with the parental cells. GSC tumour spheres were successfully cultured in vitro, and they differentiated in medium containing serum. The expression of CD133, Nestin, and ABCG2 in U251/TMZ cells was significantly higher than that in the parental U251 cells (t=43.35, p=0.00; t=12.31, p=0.00; t=11.49, p=0.00). Immunofluorescence staining of CD133, Nestin, and ABCG2 was significantly higher in U251/TMZ than in the parental U251 cells (t=43.35, p=0.00; t=12.31, p=0.00; t=11.49, p=0.00). Moreover, Western blot results showed that CD133, Nestin, and ABCG2 expression was significantly higher in U251/TMZ cells than that in the parental U251 cells (t=17.76, p=0.00; t=18.78, p=0.00; t=6.19, p=0.00). CONCLUSION: The U251/TMZ cell line has the biological characteristics of GSCs. The relationship between GSCs and chemotherapy-resistant cells has been preliminary proven to be partially overlapping, which can provide a new perspective when using appropriate cell subpopulations as targets for glioma.

Turkish neurosurgery 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

Huang, Kuan-Wei; Hsu, Kai-Cheng; Chu, Lee-Ya; Yang, Jinn-Moon; Yuan, Hanna S.; Hsiao, Yu-Yuan published the artcile< Identification of Inhibitors for the DEDDh Family of Exonucleases and a Unique Inhibition Mechanism by Crystal Structure Analysis of CRN-4 Bound with 2-Morpholin-4-ylethanesulfonate (MES)>, Electric Literature of 112-63-0, the main research area is DEDDh exonuclease inhibitor identification; RNase T inhibitor identification; crystal structure exonuclease CRN4 MES complex; Lassa virus NP exonuclease inhibitor identification.

The DEDDh family of 3’→5′-exonucleases plays essential roles in DNA and RNA metabolism in all kingdoms of life. Several viral and human DEDDh exonucleases can serve as antiviral drug targets due to their critical roles in virus replication. Here, using RNase T and CRN-4 exonuclease as the model systems, the authors identified potential inhibitors for DEDDh exonucleases. The authors further showed that 2 of the inhibitors (ATA and PV6R) indeed inhibited the exonuclease activity of the viral protein, NP exonuclease of Lassa fever virus in vitro. Moreover, the authors determined the crystal structure of CRN-4 in complex with MES that revealed a unique inhibition mechanism by inducing the general base His-179 to shift out of the active site. These results not only provided the structural basis for the inhibition mechanism but also suggested potential lead inhibitors for DEDDh exonucleases that may pave the way for designing nuclease inhibitors for biochem. and biomedical applications.

Journal of Medicinal Chemistry published new progress about Crystal growth. 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

Huang, Guang; Murillo Solano, Claribel; Melendez, Joel; Shaw, Justin; Collins, Jennifer; Banks, Robert; Arshadi, Arash Keshavarzi; Boonhok, Rachasak; Min, Hui; Miao, Jun; Chakrabarti, Debopam; Yuan, Yu published the artcile< Synthesis, Structure-Activity Relationship, and Antimalarial Efficacy of 6-Chloro-2-arylvinylquinolines>, COA of Formula: C19H34O2, the main research area is arylvinylquinoline chloro preparation antimalarial activity.

There is an urgent need to develop new efficacious antimalarials to address the emerging drug-resistant clin. cases. Our previous phenotypic screening identified styrylquinoline UCF501 as a promising antimalarial compound To optimize UCF501, we herein report a detailed structure-activity relationship study of 2-arylvinylquinolines, leading to the discovery of potent, low nanomolar antiplasmodial compounds against a Plasmodium falciparum CQ-resistant Dd2 strain, with excellent selectivity profiles (resistance index < 1 and selectivity index > 200). Several metabolically stable 2-arylvinylquinolines are identified as fast-acting agents that kill asexual blood-stage parasites at the trophozoite phase, and the most promising compound I also demonstrates transmission blocking potential. Addnl., the monophosphate salt of I exhibits excellent in vivo antimalarial efficacy in the murine model without noticeable toxicity. Thus, the 2-arylvinylquinolines represent a promising class of antimalarial drug leads.

Journal of Medicinal Chemistry published new progress about Antimalarials. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

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

Brown, Herbert C.; Okamoto, Y.; Ham, Geo. published the artcile< Rates of solvolysis of the halophenyldimethylcarbinyl chlorides. The effect of halogen substituents upon the rates of electrophilic reactions>, Electric Literature of 112-63-0, the main research area is .

A series of Et halobenzoates, XC6H4CO2Et, was prepared from the free acids by standard esterification methods in approx. 90% yield (X, b.p./mm., nD20, and m.p. of free acid given): o-F, 85.5°/8, 1.4920, 128°; m-F, 84°/9.2, 1.4848, 124.5; p-F, 87.5°/11, 1.4860, 183.5°; p-Cl, 65°/1, 1.5239, 240.5°; o-Br, 135°/15, 1.5436, 150°; m-Br, 131°/17, 1.5428, 154°; p-Br, 129°/15, 1.5460, 255; m-I, 114°/2.1, 1.5830, 187°; p-I, 126.5°/4, 1.5877, 268°. Similarly were prepared the following esters XC6H4CO2Me (same data given): o-Cl, 99°/8.5, -, 141°; m-Cl, 106°/13, -, 154.5°; p-Cl, 112.5°/8, -, 240.5°; o-I, 103.5°/1, 1.6052, 163°. The appropriate ester (0.25 mole) in 150 cc. Et2O added to 0.55 mole MeMgI in 200 cc. Et2O, the mixture decomposed with saturated aqueous NH4Cl and ice, and the Et2O layer worked up gave 70-5% of the corresponding compounds XC6H4C(OH)Me2 (I) (X, b.p./mm., m.p., and nD20 given): o-F, 74.8°/8, 29.30°, -; m-F, 87°/7, -, 1.4995; p-F, 86°/8.2, 37.8, -; o-Cl, 79.2°/2.2, 23.7, 1.5416; m-Cl, 88.0°/2.2, -, 1.5370; p-Cl, 92.5°/3, 43.3, -; o-Br, 112°/5.2, -, 1.5634; m-Br, 104.5°/3.2, -, 1.5602; p-Br, -, 45.6°, -; o-I, 121°/5.5, -, 1.6017; m-I, -, 59-61°, -; p-I, -, 57-7.5°, -. The appropriate I (5 g.) treated with dry HCl until the weight became constant, the lower layer withdrawn, and the upper layer treated with CaCl2 and evacuated gave the corresponding chlorides, XC6H4CClMe2 (II), which were used without further purification. Aqueous 90% Me2CO adjusted with minor amounts of H2O or Me2CO until Me2PhCCl yielded a rate constant identical with that obtained previously (preceding abstract), 100 cc. solvent treated with approx. 1 cc. of the appropriate II, a 5-cc. zero-time sample removed after 10 min., added to 100 cc. Me2CO at 0°, titrated immediately with 0.0305N NaOH and methyl red as the indicator, and 6-7 addnl. samples withdrawn at the appropriate time intervals and titrated gave the desired rate data for the solvolysis of the II (X, rate constants k1 × 105 sec.-1 at 25°, 40, and 55°, relative ratio at 25°, Eact., ΔH++, and ΔS++ given): H, 12.4, -, – (0.600 at 0° and 36.1 at 35°), 1.00, 19.5, 18.8, -12.5; o-F, 0.622, 3.44, 15.8, 0.0502, 20.9, 20.3, -14.4; o-Cl, 0.0975, 0.625, 3.39, 0.00786, 23.0, 22.3, -11.1; o-Br, 0.0753, 0.517, 2.67, 0.00606, 23.1, 22.5, -11.1; o-I, 0.137, 0.839, 4.56, 0.0110, 22.7, 22.1, -11.4; m-F, 0.311, 1.65, 7.39, 0.0251, 20.5, 19.9, -17.0; m-Cl, 0.194, 1.13, 5.25, 0.0156, 21.3, 20.7, -15.1; m-Br, 0.178, 1.06, 5.44, 0.0144, 22.1, 21.5, -12.7; m-I, 0.289, 1.59, 7.22, 0.0233, 20.8, 20.2, -16.1; p-F, 26.5, -, – (1.32 at 0°, 8.44 at 15°), 2.14, 19.4, 18.8, -11.7; p-Cl, 3.78, 18.1, – (0.163 at 0°), 0.305, 20.0, 19.5, -13.6; p-Br, 2.58, -, – (7.83 at 35°, 21.2 at 45°), 0.208, 19.9, 19.2, -15.2; p-I, 3.03, -, – (9.00 at 35°, 24.0 at 45°), 0.244, 19.5, 18.8, -16.0. Within each of the 3 isomeric series, the observed order of reactivity is F > Cl > Br < I. The observed magnitudes of the rate constants, together with the observed reactivity orders, can be rationalized in terms of inductive effect, resonance, and steric inhibition of resonance. Journal of the American Chemical Society published new progress about Halogens. 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

Manjunatha, Ujjini H.; Vinayak, Sumiti; Zambriski, Jennifer A.; Chao, Alexander T.; Sy, Tracy; Noble, Christian G.; Bonamy, Ghislain M. C.; Kondreddi, Ravinder R.; Zou, Bin; Gedeck, Peter; Brooks, Carrie F.; Herbert, Gillian T.; Sateriale, Adam; Tandel, Jayesh; Noh, Susan; Lakshminarayana, Suresh B.; Lim, Siau H.; Goodman, Laura B.; Bodenreider, Christophe; Feng, Gu; Zhang, Lijun; Blasco, Francesca; Wagner, Juergen; Leong, F. Joel; Striepen, Boris; Diagana, Thierry T. published the artcile< A Cryptosporidium PI(4)K inhibitor is a drug candidate for cryptosporidiosis>, Safety of (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is Cryptosporidium phosphatidylinositol kinase inhibitor preparation cryptosporidiosis diarrhea.

Diarrhoeal disease is responsible for 8.6% of global child mortality. Recent epidemiol. studies found the protozoan parasite Cryptosporidium to be a leading cause of paediatric diarrhoea, with particularly grave impact on infants and immunocompromised individuals. There is neither a vaccine nor an effective treatment. Here we establish a drug discovery process built on scalable phenotypic assays and mouse models that take advantage of transgenic parasites. Screening a library of compounds with anti-parasitic activity, we identify pyrazolopyridines as inhibitors of Cryptosporidium parvum and Cryptosporidium hominis. Oral treatment with the pyrazolopyridine KDU731 results in a potent reduction in intestinal infection of immunocompromised mice. Treatment also leads to rapid resolution of diarrhoea and dehydration in neonatal calves, a clin. model of cryptosporidiosis that closely resembles human infection. Our results suggest that the Cryptosporidium lipid kinase PI(4)K (phosphatidylinositol-4-OH kinase) is a target for pyrazolopyridines and that KDU731 warrants further preclin. evaluation as a drug candidate for the treatment of cryptosporidiosis.

Nature (London, United Kingdom) published new progress about Antidiarrheals. 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

Khan, Masarrat Majid; Sangshetti, Jaiprakash; Khan, Zeeshan; Shaikh, Asra Mumtaaz published the artcile< Application of QbD in method development of stavudine>, Application In Synthesis of 112-63-0, the main research area is stavudine antiviral agent high performance liquid chromatog.

The HPLC method for Stavudine has been developed using a quality by design concept. In the recent times due to regulatory requirement QbD (Quality by Design) has gained more importance. Chromatog. study has been achieved on a C18 column (3.9 x 300, 10μ particle size). The mobile phase consists of buffer (mono potassium phosphate): methanol (70:30). The factors like flow rate, injection volume and wavelength was found to be critical to maintain in method development of HPLC. Hence Box-Behnken optimization model was applied for the main, interaction and quadratic effects of these three factors has been studied on the selected response. Effects of these parameters were also studied on tailing factor (resolution). Results were analyzed using surface diagram. The Verification of the software generated result has been carried by using six replicates of the run. Lastly validation of the developed method was carried out by applying guidelines and parameters give by ICH (ICH Guidelines).

World Journal of Pharmaceutical Research published new progress about Antiviral agents. 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

Huertas-Perez, Jose Fernando; Arroyo-Manzanares, Natalia; Hitzler, Dominik; Castro-Guerrero, Francisco German; Gamiz-Gracia, Laura; Garcia-Campana, Ana M. published the artcile< Simple determination of aflatoxins in rice by ultra-high performance liquid chromatography coupled to chemical post-column derivatization and fluorescence detection>, SDS of cas: 112-63-0, the main research area is aflatoxin contamination rice derivatization UHPLC fluorescence; Aflatoxins; Fluorescence detection; Liquid chromatography; Post-column derivatization; Rice.

A fast and simple anal. method was developed and characterized for the determination of aflatoxins (B1, B2, G1 and G2) in rice. The procedure is based on a simple solid-liquid extraction without further clean-up, and anal. by ultra-high performance liquid chromatog. coupled with fluorescence detection. Fluorescence emission of aflatoxins B1 and G1 was enhanced by post-column chem. derivatization using pyridinium bromide perbromide. The anal. method was satisfactorily characterized in white and brown rice. Under optimum conditions, external calibration in solvent could be used for quantification purposes and limits of quantification were below the maximum contents established by the European Union regulation for these contaminants/commodity group combination (0.07-0.14 μg/kg for white rice and 0.20-0.28 μg/kg for brown rice). Recovery studies carried out at three different concentration levels (0.5, 2 and 5 μg/kg) showed values in the range of 84.5-105.3%, and RSDs≤5%.

Food Chemistry published new progress about Extraction. 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