Category: 14062-30-7

Han, Hongwei; Xu, Xinhong; Ma, Yingying; Luo, Yuelin; Wang, Zizhen; Yang, Minkai; Wen, Zhongling; Zhang, Yahan; Yin, Tongming; Zhao, Quan; Lin, Hongyan; Lu, Guihua; Yang, Rongwu; Wang, Xiaoming; Qi, Jinliang; Yang, Yonghua published the artcile< Discovering Podophyllotoxin Derivatives as Potential Anti-Tubulin Agents: Design, Synthesis and Biological Evaluation>, Safety of Ethyl 2-(3-bromophenyl)acetate, the main research area is podophyllotoxin preparation antitubulin antitumor mol docking human.

Here, a series of novel aryl 1,3,4-oxadiazole/1,3,4-thiadiazole acid podophyllotoxin ester derivatives were synthesized. Among these compounds, I (R = C6H5, 4-ClC6H4CH2, 3-FC6H4CH2, etc.) exhibited excellent antiproliferation activity against MCF-7 cells (IC50 = 2.46 +/- 0.12μM). Furthermore, I caused cell cycle arrest at the G2/M phase and induced cell apoptosis. Confocal microscopy showed that I inhibited microtubule polymerization by causing cancer cell growth inhibition. Mol. docking results suggested I could bind to the active binding site of tubulin. In a mouse model, compound I suppressed malignant growth without causing significant toxicity to normal tissues. These findings support the utility of I as a novel compound for the development of anticancer agent.

ChemistrySelect published new progress about Antitumor agents. 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Safety of Ethyl 2-(3-bromophenyl)acetate.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Miyake, Yoshihiro; Nakajima, Kazunari; Nishibayashi, Yoshiaki published the artcile< Visible light-mediated oxidative decarboxylation of arylacetic acids into benzyl radicals: addition to electron-deficient alkenes by using photoredox catalysts>, COA of Formula: C10H11BrO2, the main research area is oxidative decarboxylation arylacetic acid photoredox catalyst; benzyl radical formation radical addition electron deficient alkene.

Reactions of alkenes with arylacetic acids bearing an amino group at the para-position in the benzene ring in the presence of a catalytic amount of transition metal polypyridyl complexes as photocatalysts under visible light illumination proceed smoothly to give the corresponding benzylated products via oxidative decarboxylation in good to high yields. E.g., in presence of [Ir(ppy)2(bpy)]BF4 as catalyst, visible light-mediated oxidative decarboxylation of 4-Me2NC6H4CH2CO2H in presence of (E)-PhCH:C(CN)CO2Et gave 85% 4-Me2NC6H4CH2CHPhCH(CN)CO2Et.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenes Role: RCT (Reactant), RACT (Reactant or Reagent). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, COA of Formula: C10H11BrO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cheng, Yong-Feng; Liu, Ji-Ren; Gu, Qiang-Shuai; Yu, Zhang-Long; Wang, Jian; Li, Zhong-Liang; Bian, Jun-Qian; Wen, Han-Tao; Wang, Xiao-Jing; Hong, Xin; Liu, Xin-Yuan published the artcile< Catalytic enantioselective desymmetrizing functionalization of alkyl radicals via Cu(I)/CPA cooperative catalysis>, Reference of 14062-30-7, the main research area is THF analog enantioselective diastereoselective preparation reaction mechanism; alkene tethered diol Togni reagent desymmetrizing cyclization copper catalyst.

A general and efficient catalytic enantioselective desymmetrizing functionalization of alkene-tethered 1,3-diols was developed. It provided various tetrahydrofurans and analogs such as I [R1 = H, 3-furyl, 4-BrC6H4, etc.; R2 = 3-MeOC6H4, 3-furyl, 1-naphthyl, etc.; R3 = CF3, n-C4F9] bearing multiple stereocenters with remarkably high levels of enantio- and diastereocontrol. DFT calculations and mechanistic experiments revealed a reaction mechanism involving an enantiodetermining outer-sphere C-O bond formation step.

Nature Catalysis published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Reference of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Jabeen, Amara; de March, Claire A.; Matsunami, Hiroaki; Ranganathan, Shoba published the artcile< Machine Learning Assisted Approach for Finding Novel High Activity Agonists of Human Ectopic Olfactory Receptors>, Quality Control of 14062-30-7, the main research area is ectopic olfactory receptor agonist machine learning based model; G protein-coupled receptors; luciferase assay; machine learning; molecular descriptors; olfactory receptor; random forest; virtual ligand screening.

Olfactory receptors (ORs) constitute the largest superfamily of G protein-coupled receptors (GPCRs). ORs are involved in sensing odorants as well as in other ectopic roles in non-nasal tissues. Matching of an enormous number of the olfactory stimulation repertoire to its counterpart OR through machine learning (ML) will enable understanding of olfactory system, receptor characterization, and exploitation of their therapeutic potential. In the current study, we have selected two broadly tuned ectopic human OR proteins, OR1A1 and OR2W1, for expanding their known chem. space by using mol. descriptors. We present a scheme for selecting the optimal features required to train an ML-based model, based on which we selected the random forest (RF) as the best performer. High activity agonist prediction involved screening five databases comprising ∼23 M compounds, using the trained RF classifier. To evaluate the effectiveness of the machine learning based virtual screening and check receptor binding site compatibility, we used docking of the top target ligands to carefully develop receptor model structures. Finally, exptl. validation of selected compounds with significant docking scores through in vitro assays revealed two high activity novel agonists for OR1A1 and one for OR2W1.

International Journal of Molecular Sciences published new progress about Medicine (ectopic olfactory receptor agonist). 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Quality Control of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Matharu, Daljit S.; Flaherty, Daniel P.; Simpson, Denise S.; Schroeder, Chad E.; Chung, Donghoon; Yan, Dan; Noah, James W.; Jonsson, Colleen B.; White, E. Lucile; Aube, Jeffrey; Plemper, Richard K.; Severson, William E.; Golden, Jennifer E. published the artcile< Optimization of Potent and Selective Quinazolinediones: Inhibitors of Respiratory Syncytial Virus That Block RNA-Dependent RNA-Polymerase Complex Activity>, SDS of cas: 14062-30-7, the main research area is quinazolinedione inhibitor respiration syncytial virus RNA polymerase.

A quinazolinedione-derived screening hit 2 was discovered with cellular antiviral activity against respiratory syncytial virus (CPE EC50 = 2.1 μM), moderate efficacy in reducing viral progeny (4.2 log at 10 μM), and marginal cytotoxic liability (selectivity index, SI ∼ 24). Scaffold optimization delivered analogs with improved potency and selectivity profiles. Most notable were compounds 15 and 19 (EC50 = 300-500 nM, CC50 > 50 μM, SI > 100), which significantly reduced viral titer (>400,000-fold), and several analogs were shown to block the activity of the RNA-dependent RNA-polymerase complex of RSV.

Journal of Medicinal Chemistry published new progress about Antiviral agents. 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, SDS of cas: 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Rao, Changqing; Mai, Shaoyu; Song, Qiuling published the artcile< Rh(II)/phosphine-cocatalyzed synthesis of dithioketal derivatives from diazo compounds through simultaneous construction of two different C-S bonds>, Application In Synthesis of 14062-30-7, the main research area is dithioketal preparation rhodium phosphine catalyst diazo carbon sulfur bond.

Rhodium(II)/phosphine-cocatalyzed bis-sulfuration of α-diazocarbonyl compounds using thiosulfonates as the sulfenylating agent, which provided two sulfur-containing moieties, was developed via simultaneous inter- and intra-mol. C-S bond formation. This novel protocol provides a rapid synthetic route to dithioketal derivatives in moderate to good yields in an atom-economic process. The transformation is proposed to proceed through phosphine ylide formation followed by S(O2)-S bond cleavage and rearrangement.

Chemical Communications (Cambridge, United Kingdom) published new progress about C-S bond formation. 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, Application In Synthesis of 14062-30-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yukawa, Yasuhide; Tsuno, Yuho; Sawada, Masami published the artcile< Resonance effect in Hammett relation. IV. Linear free energy based on the normal substituent constants>, COA of Formula: C10H11BrO2, the main research area is RESONANCE EFFECT HAMMETT RELATION; HAMMETT RELATION RESONANCE EFFECT; SUBSTITUENT CONST FREE ENERGY.

A set of normal substituent constants, σ0, was derived from the rates of alk. hydrolysis of m- and p-substituted Et phenylacetates in 60% Me2CO at 25.0°. The values of the σ0 constants obtained were generally identical with Taft’s values within exptl. uncertainty. On the basis of the derived σ0, substituent effects on the general electrophilic reactions were related excellently by the equation log k/k0 = ρ(σ0 + rΔ σR+), where ΔσR+ corresponds to the exaltation of Brown and Okamoto’s σ+ from σ0 (CA 53, 9120f). Similar treatment could also be applied to the nucleophilic reactions. The utility of this equation for the estimation of resonance contribution and for the consideration of reaction mechanisms is discussed.

Bulletin of the Chemical Society of Japan published new progress about Hydrolysis kinetics. 14062-30-7 belongs to class bromides-buliding-blocks, and the molecular formula is C10H11BrO2, COA of Formula: C10H11BrO2.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary