Month: October 2022

Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A. published the artcile< Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights>, Product Details of C11H15NO3, the main research area is lactam preparation regioselective diastereoselective DFT Gibbs free energy; alkene iridium nickel photocatalyst amidoacylation cyclization.

Synthesis of cyclic amides such as I via regio- and diastereoselective amidoacylation of unactivated olefins by using photoredox proton-coupled electron transfer (PCET)/Ni dual-catalysis was developed. Various acyl electrophiles were compatible, including alkyl- and aryl acyl chlorides and anhydrides, as well as in situ activated carboxylic acids. Hammett studies and other mechanistic experiments to elucidate features of the diastereoselectivity, a transient absorption study of the PCET step, as well as computational evidence, provide an in-depth understanding of the disclosed transformation.

Chemical Science published new progress about Acid chlorides Role: RCT (Reactant), RACT (Reactant or Reagent). 34637-22-4 belongs to class esters-buliding-blocks, and the molecular formula is C11H15NO3, Product Details of C11H15NO3.

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

Rojas, A. H.; Lafuente, L.; Echeverria, G. A.; Piro, O. E.; Vetere, V.; Ponzinibbio, A. published the artcile< Synthesis and structure of novel iodinated N-glycosyl-sulfonamides through Aza-Ferrier reaction of 2-substituted glycals>, Formula: C12H16O7, the main research area is iodinated glycosyl sulfonamide preparation aza Ferrier rearrangement glycal.

We obtained a series of novel N-(2-iodo-2,3-dideoxy-2-en-glycopyranosides)-sulfonamides via the Aza-Ferrier rearrangement of protected-2-iodoglycals in good yields and high stereoselectivity. Their structure and conformation features were determined by NMR. Moreover, we report here the first in detail structure anal. by X-ray diffraction techniques of a 2-iodo-pseudoglycal.

Tetrahedron Letters published new progress about Bond angle, torsional. 4098-06-0 belongs to class esters-buliding-blocks, and the molecular formula is C12H16O7, Formula: C12H16O7.

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

Xu, Peng; Korcova, Jana; Barath, Peter; Cizova, Alzbeta; Valarikova, Jana; Qadri, Firdausi; Kelly, Meagan; O’Connor, Robert D.; Ryan, Edward T.; Bystricky, Slavomir; Kovac, Pavol published the artcile< Isolation, purification, characterization and direct conjugation of the lipid A-free lipopolysaccharide of Vibrio cholerae O139>, Application In Synthesis of 112-63-0, the main research area is lipopolysaccharide O antigen O139 Vibrio isolation purification; O antigen O139 BSA conjugation cholera antiserum immunoreactivity; NMR spectroscopy; Vibrio cholerae; glycoconjugate vaccines; polysaccharides; squaric acid.

The lipopolysaccharide (LPS) of Vibrio cholerae O139, strain CIRS245, was isolated conventionally, and the lipid A was removed by mild acid hydrolysis (0.1 M NaOAc buffer containing 1% SDS, pH 4.2, 95°C, 8 h). The crude product was a complex mixture consisting mainly of constituent fragments of the O-specific polysaccharide-core (OSPc). The OSPc was only a minor component in the mixture Two-stage purification of the crude OSPc by HPLC gave pure OSPc fragment of the LPS, as shown by NMR spectroscopy, anal. HPLC and ESI-MS. This material is the purest OSPc fragment of the LPS from Vibrio cholerae O139 reported to date. The purified OSPc was readily converted to the corresponding Me squarate derivative and the latter was conjugated to BSA. The conjugate, when examined by ELISA, showed immunoreactivity with sera from patients in Bangladesh recovering from cholera caused by V. cholerae O139, but not O1.

Chemistry – A European Journal published new progress about Antibacterial vaccines (against V. cholerae O139, possibility for). 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

Xue, Liming; Xu, Jiale; Feng, Chao; Zhou, Zhijun; Jin, Yu’e; Lu, Dasheng; Wang, Guoquan published the artcile< Flurochloridone induces responses of free radical reactions and energy metabolism disorders to BRL-3A cell>, Application In Synthesis of 112-63-0, the main research area is free radical reaction energy metabolism disorder BRL 3A flurochloridone; AKT/GSK-3β; Energy metabolism dysfunction; Flurochloridone; Glucose isotopic tracing flux technology; Hepatotoxicity.

Flurochloridone (FLC), a wildly used herbicide, could induce hepatotoxicity after long-term exposure to male rat, in addition to its reactive oxygen species (ROS)-dependent reproductive toxicity. The hepatotoxicity effect and mechanism was investigeted using 1, 10 and 100μmol L-1 FLC treated BRL-3A liver cell in this study. The function of mitochondrial respiration, glycolysis rate and real time ATP production rate are determined by seahorse XF analyzer, and the bio-transformers of FLC, intermediates of TCA cycle and glycolysis, and related amino acids are determined and identified by [U-13C] Glucose metabolic flux technol. based on UPLC-HRMS. The mRNA expression of cytochrome P450s and the key regulatory enzymes of glucose metabolism and γ- glutamyl cycle pathway. The protein expressions of protein kinase B (AKT) and glycogen synthase kinase-3 beta (GSK-3β) were determined The results show dechlorination and glutathione (GSH) conjugate products of FLC are predominant bio-transformmers after 24 h treatment in BRL-3A cell. FLC could enhance glycolysis function and inhibit mitochondrial aerobic respiratory, which is accompanied by the decreased total ATP level and ATP produced rate. Increased glucose-6-phosphate, fructose-6-phosphate, pyruvate and lactate levels, and elevated level of GSH and its precursor 5-glutamate-cysteine (γ-Glu-Cys) are observed in FLC treated cells, which indicates that energy metabolism dysfunction and GSH accumulation could be potentially mediated by activating γ- Glutamyl cycle pathway. Conclusively, FLC induced hepatotoxicity could be potentially related to some free radical reactions, including inhibiting mitochondrial function, glucose metabolism via glycolysis, regulating γ- glutamyl cycle pathway to promote reactive oxygen species (ROS) level, and then induced cell apoptosis by inhibiting AKT/GSK-3β signal.

Ecotoxicology and Environmental Safety published new progress about Animal cell line (BRL-3A). 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

Niculescu, S. P.; Atkinson, A.; Hammond, G.; Lewis, M. published the artcile< Using fragment chemistry data mining and probabilistic neural networks in screening chemicals for acute toxicity to the fathead minnow>, Quality Control of 112-63-0, the main research area is model probabilistic neural network toxicity fathead minnow; structure activity relationship organic chem toxicity Pimephales.

The paper is illustrating how the general data mining methodol. may be adapted to provide solutions to the problem of high throughput virtual screening of organic chems. for possible acute toxicity to the fathead minnow fish. The present approach involves mining fragment information from chem. structures and is using probabilistic neural networks to model the relationship between structure and toxicity. Probabilistic neural networks implement a special class of multivariate non-linear Bayesian statistical models. The math. principles supporting their use for value prediction purposes are clarified and their peculiarities discussed. As part of the research phase of the data mining process, a dataset consisting of 800 structures and associated fathead minnow (Pimephales promelas) 96-h LC50 acute toxicity endpoint information is used for both the purpose of identifying an advantageous combination of fragment descriptors and for training the neural networks. As a result, two powerful models are generated. Model 1 implements the basic PNN with Gaussian kernel (statistical corrections included) while Model 2 implements the PNN with Gaussian kernel and separated variables. External validation is performed using a sep. dataset consisting of 86 structures and associated toxicity information. Both learning and generalization capabilities of the two models are investigated and their limitations discussed.

SAR and QSAR in Environmental Research published new progress about Alcohols, C12-13, ethoxylated Role: ADV (Adverse Effect, Including Toxicity), BIOL (Biological Study). 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

Singh, Simranjit X.; Yang, Rui; Roso, Kristen; Hansen, Landon J.; Du, Changzheng; Chen, Lee H.; Greer, Paula K.; Pirozzi, Christopher J.; He, Yiping published the artcile< Purine Synthesis Inhibitor L-Alanosine Impairs Mitochondrial Function and Stemness of Brain Tumor Initiating Cells>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is brain tumor mitochondrial function purine synthesis inhibitor alanosine; MTAP; adenine; alanosine; drug resistance; glioma stem cells; mitochondria; purine.

Glioblastoma (GBM) is a lethal brain cancer exhibiting high levels of drug resistance, a feature partially imparted by tumor cell stemness. Recent work shows that homozygous MTAP deletion, a genetic alteration occurring in about half of all GBMs, promotes stemness in GBM cells. Exploiting MTAP loss-conferred deficiency in purine salvage, we demonstrate that purine blockade via treatment with L-Alanosine (ALA), an inhibitor of de novo purine synthesis, attenuates stemness of MTAP-deficient GBM cells. This ALA-induced reduction in stemness is mediated in part by compromised mitochondrial function, highlighted by ALA-induced elimination of mitochondrial spare respiratory capacity. Notably, these effects of ALA are apparent even when the treatment was transient and with a low dose. Finally, in agreement with diminished stemness and compromised mitochondrial function, we show that ALA sensitizes GBM cells to temozolomide (TMZ) in vitro and in an orthotopic GBM model. Collectively, these results identify purine supply as an essential component in maintaining mitochondrial function in GBM cells and highlight a critical role of mitochondrial function in sustaining GBM stemness. We propose that purine synthesis inhibition can be beneficial in combination with the standard of care for MTAP-deficient GBMs, and that it may be feasible to achieve this benefit without inflicting major toxicity.

Biomedicines published new progress about Brain neoplasm. 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

Shibata, Norio; Suzuki, Emiko; Asahi, Toru; Shiro, Motoo published the artcile< Enantioselective Fluorination Mediated by Cinchona Alkaloid Derivatives/Selectfluor Combinations: Reaction Scope and Structural Information for N-Fluoro cinchona Alkaloids>, Reference of 112-63-0, the main research area is crystal structure fluoroammonium cinchona alkaloid fluorination reagent; oxindole enantioselective fluorination cinchona alkaloid Selectfluor; fluorocyanoacetate enantioselective preparation; dihydroquinine chlorobenzoate Selectfluor enantioselective fluorination; enantioselective fluorination cinchona alkaloid mediated.

Cinchona-alkaloid/Selectfluor combinations efficiently fluorinated a variety of carbonyl compounds in a highly enantioselective manner to furnish chiral α-fluorocarbonyl compounds The dihydroquinine 4-chlorobenzoate/Selectfluor combination was effective for enantioselective fluorination of indanone silyl ethers I (R = benzyl, Me, Et) and tetralone silyl ethers II (R = benzyl, Me, Et) to give fluoroindanones III and fluorotetralones IV in up to 91% ee. The first enantioselective syntheses of chiral derivatizing reagents 4-MeC6H4CF(CN)CO2Et, R1CF(CN)CO2Me (R1 = 2-naphthyl), and PhCF(CN)CO2Et were accomplished with high ee and in high chem. yields using the dihydroquinidine acetate/Selectfluor combination. 3-Fluorooxindoles were prepared with ee up to 83% using 1,4-bis(9-O-dihydroquininyl)anthraquinone/Selectfluor or 2,5-bis(9-O-dihydroquinidinyl)-2,5-diphenylpyrimidine/Selectfluor combinations. Since the combinations are conveniently prepared in situ from readily available reagents, the present system represents a practical method for enantioselective fluorination. X-ray crystallog. and 1H NMR analyses of the cinchona alkaloids/Selectfluor combination have established that the species that mediate this novel reaction are N-fluoroammonium cinchona alkaloid tetrafluoroborates, which adopt open conformations.

Journal of the American Chemical Society published new progress about Cinchona alkaloids Role: RCT (Reactant), RACT (Reactant or Reagent). 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

Manzocchi, E.; Martin, B.; Bord, C.; Verdier-Metz, I.; Bouchon, M.; De Marchi, M.; Constant, I.; Giller, K.; Kreuzer, M.; Berard, J.; Musci, M.; Coppa, M. published the artcile< Feeding cows with hay, silage, or fresh herbage on pasture or indoors affects sensory properties and chemical composition of milk and cheese>, Related Products of 112-63-0, the main research area is milk cheese feeding cow silage herbage indoor sensory property; cheese sensory profile; dairy cow; herbage utilization method; milk sensory profile.

In European countries, silage-free feeding is an ancient tradition and has a particularly pos. reputation among consumers. In the present study, we compared grass-based forages from the same plot conserved as hay or silage or fed fresh either on pasture or indoors, and we evaluated the differences in sensory properties of milk and uncooked pressed cheese. All herbage from the first cut of a grassland dominated by perennial ryegrass was harvested on the same day and preserved either as hay or silage. The first regrowth of the same plot was used for strip grazing or green feeding indoors. Balanced by breed, 24 Montbeliarde and 24 Holstein cows were allocated to the 4 treatments. Apart from the forages, the late-lactation cows received 3 kg/d of dry matter from concentrate After 2 wk of dietary adaptation, the bulk milk of 3 subgroups, each with 4 cows, was collected. Part of the milk was pasteurized, and part was left raw and partly transformed to small-sized Cantal-type cheese ripened for 9 wk. Milk and cheese underwent descriptive sensory anal. by a trained sensory panel, as well as analyses of physicochem. traits. Volatile organic compounds of the cheeses were also analyzed. Raw and pasteurized milk from hay-fed cows had less intense odors of cooked milk, cream, and barnyard than milk from grazing cows, whereby the effect of pasteurization did not differ between herbage utilization methods. Cheeses obtained from cows fed fresh herbage (grazing and indoors) were clearly yellower than cheeses from silage- and hay-fed cows, which coincided with the color intensity perceived by the panelists. Moreover, cheeses from cows fed fresh herbage had more intense barnyard and dry fruit flavors, were perceived as creamier and having less lactic odor, and exhibited more fat exudation than those from cows fed conserved herbage. Only a few differences were observed in milk and cheeses from hay-fed compared with silage-fed cows, and those differences were far less pronounced than those of milk and cheeses from cows fed fresh herbage. In conclusion, the present study did not substantiate assumptions of clear sensory differences of milk and uncooked pressed cheese from hay-fed compared with silage-fed cows. For the first time, this study reports that the global flavor intensity of cheeses from indoor green-fed cows is similar to that of cheeses derived from cows fed conserved forages, whereas cheeses from grazing cows have the greatest global flavor intensity.

Journal of Dairy Science published new progress about Acids Role: FFD (Food or Feed Use), PRP (Properties), BIOL (Biological Study), USES (Uses). 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

Suri, Deepa; Banerji, Kalyan K.; Kothari, Seema published the artcile< Correlation analysis of reactivity in the oxidation of substituted benzyl alcohols by pyridinium hydrobromide perbromide>, Product Details of C19H34O2, the main research area is correlation analysis reactivity oxidation benzyl alc; pyridinium hydrobromide perbromide oxidation benzyl alc; LFER oxidation benzyl alc.

Correlation anal. of the effect of substituents in the oxidation of benzyl alc. by pyridinium hydrobromide perbromide indicates the presence of an electron-deficient carbon center in the transition state and a steric acceleration of the reaction.

Journal of Chemical Research, Synopses published new progress about Formation constant. 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

Peng, Yiyuan; Liu, Hanliang; Tang, Min; Cai, Lisheng; Pike, Victor published the artcile< Highly efficient N-monomethylation of primary aryl amines>, Related Products of 112-63-0, the main research area is monomethylation primary aryl amine.

A highly efficient method for specific synthesis of N-monomethylarylamines is presented. Anilines were treated with acetic anhydride and triethylamine in dry CH2Cl2 to give the corresponding acetamides. The subsequent N-monomethylation of acetyl aryl amines with Me iodide and NaH in THF introduced Me group. Acid hydrolysis of the N-Me acetanilides in ethylene glycol generated the corresponding N-methyl-N-aryl amines in high yields. This method was also used to synthesize (E)-2-bromo-5-(4-methylaminostyryl)pyridine that may be useful as an amyloid imaging agent for Alzheimer’s disease.

Chinese Journal of Chemistry published new progress about Acetylation (protection of amines before methylation). 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