Category: 20776-50-5

Sebastian-Perez, Victor; Garcia-Rubia, Alfonso; Seif el-Din, Sayed H.; Sabra, Abdel-Nasser A.; El-Lakkany, Naglaa M.; William, Samia; Blundell, Tom L.; Maes, Louis; Martinez, Ana; Campillo, Nuria E.; Botros, Sanaa S.; Gil, Carmen published the artcile< Deciphering the enzymatic target of a new family of antischistosomal agents bearing a quinazoline scaffold using complementary computational tools>, Electric Literature of 20776-50-5, the main research area is quinazoline antischistosomal preparation target aldose reductase; Drug discovery; Schistosoma mansoni; quinazoline; target deconvolution.

A previous phenotypic screening campaign led to the identification of a quinazoline derivative with promising in vitro activity against Schistosoma mansoni. Follow-up studies of the antischistosomal potential of this candidate are presented here. The in vivo studies in a S. mansoni mouse model show a significant reduction of total worms and a complete disappearance of immature eggs when administered concomitantly with praziquantel in comparison with the administration of praziquantel alone. This fact is of utmost importance because eggs are responsible for the pathol. and transmission of the disease. Subsequently, the chem. optimization of the structure in order to improve the metabolic stability of the parent compound was carried out leading to derivatives with improved drug-like properties. Addnl., the putative target of this new class of antischistosomal compounds was envisaged by using computational tools and the binding mode to the target enzyme, aldose reductase, was proposed.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Drug targets. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Electric Literature of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Jia-Xiong; Xiao, Ya-Fang; Wang, Kai; Fan, Xiao-Chun; Cao, Chen; Chen, Wen-Cheng; Zhang, Xiang; Shi, Yi-Zhong; Yu, Jia; Geng, Feng-Xia; Zhang, Xiao-Hong; Lee, Chun-Sing published the artcile< Origin of thermally activated delayed fluorescence in a donor-acceptor type emitter with an optimized nearly planar geometry>, Recommanded Product: 2-Amino-4-bromobenzoic acid, the main research area is methyl phenoxazinyl pyrano pyridinone thermally activated delayed fluorescence.

Thermally activated delayed fluorescence (TADF) emitters generally require good separation of HOMO (HOMO)-LUMO (LUMO) overlaps to minimize the singlet-triplet energy offset. Observations of excellent TADF performance in several planar emitters with large HOMO-LUMO overlaps are counter-intuitive and not fully explained. To understand this, we prepared two isomeric TADF mols., 7-methyl-2-(10H-phenoxazin-10-yl)-5H-pyrano[4,3-b]pyridin-5-one (PXZ-PPO) and 2-methyl-7-(10H-phenoxazin-10-yl)-4H-benzo[d][1,3]oxazin-4-one (PXZ-BOO). PXZ-BOO has a stable highly-twisted configuration with a small HOMO-LUMO overlap leading to good TADF performance as expected. PXZ-PPO has a stable nearly-planar form and a large HOMO-LUMO overlap and is not expected to give TADF. While the solid crystal of PXZ-PPO only shows conventional fluorescence at 420 nm, its diluted solution is dominated by TADF at 610 nm. With a combined exptl. and theor. approach, PXZ-PPO is shown to have a stable nearly-planar form and a metastable highly-twisted form in the ground state. While the highly-twisted form only has a small population (<1%) in the ground state, its excited state has lower energy than the nearly-planar form. As a result, when the high population nearly-planar form is excited, its excited state energy can decay by transforming to the highly-twisted form which shows TADF characteristics. This work points out the importance of low population but energetically stable excited states and explains for the first time the origin of TADF in such nearly-planar emitters with large HOMO-LUMO overlaps. Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about Density functional theory. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Recommanded Product: 2-Amino-4-bromobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Amrutkar, Rakesh Devidas; Ranawat, Mahendra Sing published the artcile< Microwave Assisted Synthesis and Molecular Docking Studies of Some 4- (3H)-quinazolinone Derivatives as Inhibitors of Human Gamma- Aminobutyric Acid Receptor, the GABA (A)R-BETA3 Homopentamer>, Related Products of 20776-50-5, the main research area is quinazolinone green chem mol docking GABA inhibitor; Anthranilic acid; GABA-A receptor; NMR.; anticonvulsant activities; green chemistry; quinazolin-4-(3H) one.

The Microwave irradiation for the synthesis of the quinazolinone compounds I [R = H, Br; R1 = NH2, 4-H3CC6H4, 4-O2NC6H4, etc.] offers a reduction in reaction time, operation simplicity, cleaner reaction, easy work-up and improved yields. The procedure clearly highlights the advantages of green chem. The data reported in this article may be helpful for the medicinal chemists who are working in this area. The protein-ligand interaction plays a significant role in structural based drug designing. In the present work, the ligand, 2, 3-disubstituted quinazolinone docked with the proteins that are used as the target for GABA-A receptor.

Medicinal Chemistry (Sharjah, United Arab Emirates) published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Related Products of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yiming; Wang, Yuhong; Yang, Tilong; Lin, Zhenyang; Jiang, Xuefeng published the artcile< Selenium-catalyzed intramolecular atom- and redox-economical transformation of o-nitrotoluenes into anthranilic acids>, Reference of 20776-50-5, the main research area is nitrotoluene selenium catalyst redox reaction mechanism; anthranilic acid preparation.

Herein, a straightforward strategy to transform abundant o-nitrotoluenes into biol. and pharmaceutically significant AAs without any extra reductants, oxidants and protecting groups was demonstrated. Various sensitive groups, such as halogens, sulfide, aldehyde, pyridines, quinolines, etc., can be tolerated in this transformation. A hundred-gram-scale operation was realized efficiently with almost quant. selenium recycling. Further mechanistic studies and DFT calculations disclosed the proposed atom-exchange processes and the key roles of the selenium species.

Green Chemistry published new progress about Aminobenzoic acids Role: SPN (Synthetic Preparation), PREP (Preparation). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Reference of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Chen, Dong; Li, Shiqing; Wang, Jinhua; Gou, Tiantian; Zhang, Linfeng; Wang, Guixia; Kong, Xiangfei published the artcile< Visible-Light-Mediated Synthesis of Rutaecarpine Alkaloids through C-N Cross-Coupling Reaction>, Related Products of 20776-50-5, the main research area is aniline benzamide cross dehydrogenation coupling amination oxidation photocatalyst light; quinazolinone alkaloid preparation; rutaecarpine preparation.

A visible-light-initiated cross-dehydrogenative-coupling amination is described, featuring metal- and photocatalyst-free, at room temperature, and using air as an oxidant. The reaction provides a facile approach for the synthesis of rutaecarpine and its derivatives The substrates with electron-withdrawing groups give higher yields than those with electron-donating groups, but the substituent position has a negligible influence on the yield. Using binaphthyl-diyl hydrogen phosphate and dibenzyl phosphate as catalysts both deliver satisfying yields. This straightforward light-driven strategy might be applicable to the synthesis of quinazolinone derivatives

Synlett published new progress about Alkaloids Role: SPN (Synthetic Preparation), PREP (Preparation). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Related Products of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Sun, Bin; Shi, Rongcheng; Zhang, Kesheng; Tang, Xiaoli; Shi, Xiayue; Xu, Jiayun; Yang, Jin; Jin, Can published the artcile< Photoinduced homolytic decarboxylative acylation/cyclization of unactivated alkenes with α-keto acid under external oxidant and photocatalyst free conditions: access to quinazolinone derivatives>, Recommanded Product: 2-Amino-4-bromobenzoic acid, the main research area is acyl tricyclic quinazolinone preparation green chem self catalyst; quinazolinone alkene alpha keto acid photoinduced decarboxylative acylation cyclization.

A novel and green strategy for the synthesis of acylated quinazolinone derivatives via photo-induced decarboxylative cascade radical acylation/cyclization of quinazolinone bearing unactivated alkenes has been developed. The protocol provides a novel route to access acyl radicals from α-keto acids through a self-catalyzed energy transfer process. Most importantly, the reaction proceeded smoothly without any external photocatalyst, additive or oxidant, and could be easily scaled-up in flow conditions with sunlight irradiation

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkenes Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Recommanded Product: 2-Amino-4-bromobenzoic acid.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Li, Yang; Zhang, Cheng; Li, Zhuang; Gu, Peiyang; Wang, Zilong; Li, Hua; Lu, Jianmei; Zhang, Qichun published the artcile< Controlled deposition of large-area and highly-ordered thin films: effect of dip-coating-induced morphological evolution on resistive memory performance>, Reference of 20776-50-5, the main research area is resistive memory device dip coating morphol.

Developing a simple, versatile and efficient technique that enables both large-scale production and nano-scale control is highly desirable but very challenging for achieving high-performance organic-based memory electronic devices. Herein, the authors employed a dip-coating method to fabricate reliable and cost-effective organic memory devices (OMDs). This technique enables one to deposit high-quality, homogeneous and large-area nanopatterns on the surfaces of thin films and realize uniform OMD performances with a record reproducibility up to 96%. To the best of their knowledge, this is the first report on dip-coated OMDs with the highest reproducibility observed to date, which demonstrates the promising versatility of the dip-coating technique to fabricate organic memory devices and its suitability to scale-up for high-throughput solution processing.

Journal of Materials Chemistry C: Materials for Optical and Electronic Devices published new progress about Dip coating process. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Reference of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liu, Wenwu; Wu, Limeng; Li, Deping; Huang, Yaoguang; Liu, Mingyue; Liu, Wenjie; Tian, Caizhi; Liu, Xin; Jiang, Xiaowen; Hu, Xiaolong; Gao, Xudong; Xu, Zihua; Lu, Hongyuan; Zhao, Qingchun published the artcile< Discovery of novel tacrine derivatives as potent antiproliferative agents with CDKs inhibitory property>, Application In Synthesis of 20776-50-5, the main research area is human colon lung cancer CDK9 antiproliferative anticancer tacrine derivative; AChE; CDK2; CDK9; Cancer therapeutics; Tacrine.

Tacrine was the first approved drug by the FDA for the treatment of Alzheimer′s disease (AD) but was withdrawn from the market due to its dose-dependent hepatotoxicity. Herein, we describe our efforts toward the discovery of a novel series of tacrine derivatives for cancer therapeutics. Intensive structural modifications of tacrine led to the identification of N-(4-{9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl}pyridin-2-yl)cyclopropanecarboxamide hydrochloride ((S)-45, ZLWT-37) as a potent antiproliferative agent (GI50 = 0.029 μM for HCT116). In addition, ZLWT-37 exhibited lower inhibitory activity against acetylcholinesterase (AChE) and butyrylcholinesterase (BuChE) compared to tacrine. The in vitro studies demonstrated that ZLWT-37 could significantly induce apoptosis and arrest the cell cycle in the G2/M phase in HCT116 cells. The in vivo studies revealed that compound ZLWT-37 showed excellent antitumor efficacy in HCT116 xenograft tumor model and favorable pharmacokinetics profiles (F% = 28.70%) as well as low toxicity in the acute toxicity test with a median LD (LD50) of 380.3 mg/kg. Encouragingly, ZLWT-37 had no obvious hepatotoxicity, nephrotoxicity, and hematol. toxicity. Kinase assay suggested that ZLWT-37 possessed potent cyclin-dependent kinase 9 (CDK9) inhibitory activity (IC50 = 0.002 μM) and good selectivity over CDK2 (IC50 = 0.054 μM). Collectively, these findings indicate that compound ZLWT-37 is a promising anti-cancer agent that deserves further preclin. evaluation.

Bioorganic Chemistry published new progress about Antiproliferative agents. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Application In Synthesis of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Dvorakova, Marcela; Langhansova, Lenka; Temml, Veronika; Pavicic, Antonio; Vanek, Tomas; Landa, Premysl published the artcile< Synthesis, Inhibitory Activity and In Silico Modeling of Selective COX-1 Inhibitors with a Quinazoline Core>, Application In Synthesis of 20776-50-5, the main research area is quinazoline preparation cyclooxygenase inhibitor docking.

Three series of quinazoline derivatives I [R1 = 4-H2NC6H4O, 4-MeOC6H4CH2NH, 4-MeC6H4NH, etc.; R2 = CH:CHPh, Et2N, morpholino, pyrrolidin-1-yl, piperazin-1-yl; R3 = H, 4-MeOC6H4, 4-FC6H4, 2-thienyl] were prepared and tested for their potential inhibitory activity toward COX-1 and COX-2. Of the prepared compounds, 11 exhibited interesting COX-1 selectivity, with 8 compounds being totally COX-1-selective. The IC50 value of the best quinazoline inhibitor was 64 nM. The structural features ensuring COX-1 selectivity were elucidated using in silico modeling.

ACS Medicinal Chemistry Letters published new progress about Amines Role: RCT (Reactant), RACT (Reactant or Reagent). 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Application In Synthesis of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Ding, Zichao; Ni, Tingjunhong; Xie, Fei; Hao, Yumeng; Yu, Shichong; Chai, Xiaoyun; Jin, Yongsheng; Wang, Ting; Jiang, Yuanying; Zhang, Dazhi published the artcile< Design, synthesis, and structure-activity relationship studies of novel triazole agents with strong antifungal activity against Aspergillus fumigatus>, Electric Literature of 20776-50-5, the main research area is triazole preparation SAR antifungal agent Aspergillus; Antifungal; CYP51; Molecular docking; Synthesis; Triazole.

The incidence of invasive fungal infections has dramatically increased for several decades. In order to discover novel antifungal agents with broad spectrum and anti-Aspergillus efficacy, a series of novel triazole derivatives containing 1,2,3-benzotriazin-4-one was designed and synthesized. Most of the compounds exhibited stronger in vitro antifungal activities against tested fungi than fluconazole. Moreover, 7-chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)benzo [d][1,2,3]triazin-4(3H)-one showed comparable antifungal activity against seven pathogenic strains as voriconazole and albaconazole, especially against Aspergillus fumigatus (MIC = 0.25μg/mL), and displayed moderate antifungal activity against fluconazole-resistant strains of Candida albicans. A clear SAR study indicated that compounds with groups at the 7-position resulted in novel antifungal triazoles with more effectiveness and a broader-spectrum.

Bioorganic & Medicinal Chemistry Letters published new progress about Aspergillus. 20776-50-5 belongs to class bromides-buliding-blocks, and the molecular formula is C7H6BrNO2, Electric Literature of 20776-50-5.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary