Tag: M.W=150-200

Gao, Ya; Huang, Dai-Chuan; Liu, Chang; Song, Zi-Long; Liu, Jing-Rui; Guo, Shu-Ke; Tan, Jun-Yang; Qiu, Run-Ling; Jin, Bing; Zhang, Haifeng; Mulholland, Nick; Han, Xinya; Xia, Qinfei; Ali, Abdallah S.; Guo, Dale; Deng, Yun; Gu, Yu-Cheng; Zhang, Ming-Zhi published the artcile< Streptochlorin analogues as potential antifungal agents: Design, synthesis, antifungal activity and molecular docking study>, Computed Properties of 3959-07-7, the main research area is streptochlorin analog synthesis antifungal agent mol docking; Antifungal activity; Imidazole; Molecular docking; Natural products; Streptochlorin.

Streptochlorin is a small mol. of indole alkaloid isolated from marine Streptomyces sp., it is a promising lead compound due to its potent bioactivity in preventing many phytopathogens in our previous study, but further structural modifications are required to improve its antifungal activity. Our work in this paper focused on the replacement of oxazole ring in streptochlorin with the imidazole ring, to discover novel analogs. Based on this design strategy, three series of streptochlorin analogs were efficiently synthesized through sequential Vilsmeier-Haack reaction, Van Leusen imidazole synthesis and halogenation reaction. Some of the analogs displayed excellent activity in the primary assay, and this is highlighted by compounds I and II, the growth inhibition against Alternaria Leaf Spot and Rhizoctorzia solani under 50μg/mL are 97.5% and 90.3%, resp., even more active than those of streptochlorin, pimprinine and Osthole. Mol. docking models indicated that streptochlorin binds with Thermus thermophiles Leucyl-tRNA Synthetase in a similar mode to AN2690, offering a perspective on the mode of action study for antifungal activities of streptochlorin derivatives Further study is still ongoing with the aim of discovering synthetic analogs, with improved antifungal activity and clear mode of action.

Bioorganic & Medicinal Chemistry published new progress about Cyclization. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Computed Properties of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xu, Zhihui; Yang, Tianbao; Tang, Niu; Ou, Yifeng; Yin, Shuang-Feng; Kambe, Nobuaki; Qiu, Renhua published the artcile< UV-Light-Induced N-Acylation of Amines with α-Diketones>, Synthetic Route of 3959-07-7, the main research area is amide preparation; amine alpha diketone photoinduced acylation.

Herein, a mild method for N-acylation of primary and secondary amines with α-diketones induced by UV light is reported. Forty-six examples with various functional groups are explored at room temperature with irradiation by three 26 W UV lamps (350-380 nm). The yield reaches 97%. The gram scale experiment product yield is 76%. Moreover, this system can be applied to the synthesis of several amino acid derivatives Mechanistic studies show that benzoin is generated in situ from benzil under UV irradiation

Organic Letters published new progress about Amides Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Synthetic Route of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Wan, Nan-Wei; Cui, Hai-Bo; Zhao, Ling; Shan, Jing; Chen, Ke; Wang, Zhong-Qiang; Zhou, Xiao-Jian; Cui, Bao-Dong; Han, Wen-Yong; Chen, Yong-Zheng published the artcile< Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation>, Formula: C8H9Br, the main research area is chiral alc preparation stereoselective biohydroxylation cytochrome P450DA hydroxylase.

Engineering of a hydroxylase for highly active and stereoselective biohydroxylation of C(sp3)-H bonds attracts keen interest in synthetic chem. Herein, we report the development of a colorimetric high throughput screening assay for the directed evolution of cytochrome P450DA hydroxylase. The best triple-mutant P450DA-M3 (N190F/V356L/A486E) was identified with improvements in the turnover frequency (TOF) and total turnover number (TTN). P450DA-M3 exhibited good catalytic efficiency (up to 6750 TTNs) and stereoselectivity (up to 98% ee) in the biohydroxylation of diverse substrates. The heme domain structure of the P450DA was also solved for understanding the possible influence of these pos. mutations.

Catalysis Science & Technology published new progress about Aralkyl alcohols Role: BPN (Biosynthetic Preparation), BIOL (Biological Study), PREP (Preparation). 2725-82-8 belongs to class bromides-buliding-blocks, and the molecular formula is C8H9Br, Formula: C8H9Br.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Lin, Hua-Chen; Knox, Gary J.; Pearson, Colin M.; Yang, Chao; Carta, Veronica; Snaddon, Thomas N. published the artcile< A Pd-H/Isothiourea Cooperative Catalysis Approach to anti-Aldol Motifs: Enantioselective α-Alkylation of Esters with Oxyallenes>, Category: bromides-buliding-blocks, the main research area is oxyallene pentafluorophenyl acetate palladium benzotetramisole enantioselective diastereoselective alkylation; pentafluorophenyl oxypentenoate preparation; methyl oxy butenyl carbamate preparation; Allenes; C1-Ammonium Enolates; Enantioselectivity; Isothioureas; Palladium Catalysis.

To complement the array of substrate-based strategies, and regulate enolate geometry at the catalyst level, a direct catalytic alkylation of esters with oxyallenes was developed. Synergizing metal hydride reactivity with Lewis base catalysis resulted in a broad reaction scope with useful levels of stereocontrol (up to >99% ee). Facile derivatization of these ambiphilic linchpins was demonstrated, providing access to high-value vicinal stereocenter-containing motifs, including 1,2-amino alcs.

Angewandte Chemie, International Edition published new progress about Alkylation catalysts, stereoselective. 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Cao, Qun; Nicholson, William I.; Jones, Andrew C.; Browne, Duncan L. published the artcile< Robust Buchwald-Hartwig amination enabled by ball-milling>, Category: bromides-buliding-blocks, the main research area is arylhalide secondary amine Buchwald Hartwig amination palladium ball milling.

An operationally simple mechanochem. method for the Pd catalyzed Buchwald-Hartwig amination of arylhalides with secondary amines has been developed using a Pd PEPPSI catalyst system. The system is demonstrated on 30 substrates and applied in the context of a target synthesis. Furthermore, the performance of the reaction under aerobic conditions has been probed under traditional solution and mechanochem. conditions, the observations are discussed herein.

Organic & Biomolecular Chemistry published new progress about Aryl halides Role: RCT (Reactant), RACT (Reactant or Reagent). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Category: bromides-buliding-blocks.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Xu, Guolin; Gao, Peng; Colacot, Thomas J. published the artcile< Tunable Unsymmetrical Ferrocene Ligands Bearing a Bulky Di-1-adamantylphosphino Motif for Many Kinds of Csp2-Csp3 Couplings>, Name: 2,4,6-Trimethylbromobenzene, the main research area is adamantyl phosphino linked ferrocene ligand preparation palladium complex; Murahashi Feringa Kumada Corriu Negishi Suzuki Miyaura coupling reaction.

A class of ferrocene-based unsym. bidentate ligands containing a di(1-adamantyl)phosphino group, Fc(PAd2)(PR2) (R = Ph, Cy, iPr, tBu) abbreviated as MPhos ligands, and their corresponding (MPhos)PdCl2 pre-catalysts were synthesized in very good yields and fully characterized using techniques including single-crystal X-ray crystallog. These pre-catalysts were utilized for Csp2-Csp3 couplings for many kinds of name reactions such as Murahashi-Feringa, Kumada-Corriu, Negishi, and Suzuki-Miyaura with good substrate scope and isolated yields. About nine “”drug-like”” mols. were also tested successfully to demonstrate their potential applications in active pharmaceutical ingredient (API) synthesis. The tunability of the catalyst system enabled the matching of sterics and electronics of the ligand with that of the substrates to have desirable results for over five dozen systems in good yields and selectivity.

ACS Catalysis published new progress about Adamantanes Role: CAT (Catalyst Use), SPN (Synthetic Preparation), USES (Uses), PREP (Preparation). 576-83-0 belongs to class bromides-buliding-blocks, and the molecular formula is C9H11Br, Name: 2,4,6-Trimethylbromobenzene.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Yuan, Ziliang; Liu, Bing; Zhou, Peng; Zhang, Zehui; Chi, Quan published the artcile< Preparation of nitrogen-doped carbon supported cobalt catalysts and its application in the reductive amination>, Recommanded Product: 4-Bromobenzylamine, the main research area is amine preparation green chem; aldehyde reductive amination cobalt nanocatalyst.

The use of non-noble metal catalysts with high activity is of great importance for organic transformations. Herein, nitrogen-doped carbon supported cobalt catalysts with high surface area up to 981.2 m2/g were prepared via the simple pyrolysis of cobalt coordinated organic polymers with silica as the hard template. The pyrolysis temperature showed a great effect on the structure and properties of the as-prepared catalysts. The Co@NC-800 catalyst with the pyrolysis temperature of 800 °C demonstrated a high activity for the selective reductive amination of carbonyl compounds RCHO (R = CH3(CH2)6, furan-2-yl, cyclohexyl, etc.) to primary amines RCH2NH2 with ammonia and hydrogen. Structurally-diverse primary amines with yields in the range from 81.8% to 100% were attained under the optimal conditions. The Co@NC-800 catalyst could be reused without the loss of its activity. The Co@NC-800 catalyst demonstrated comparable activity as the reported heterogeneous noble metal catalysts.

Journal of Catalysis published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Recommanded Product: 4-Bromobenzylamine.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Nazari Montazer, Mohammad; Asadi, Mehdi; Bahadorikhalili, Saeed; Hosseini, Faezeh Sadat; Amanlou, Arash; Biglar, Mahmood; Amanlou, Massoud published the artcile< Design, synthesis, docking study and urease inhibitory activity evaluation of novel 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-arylacetamide derivatives>, SDS of cas: 3959-07-7, the main research area is amino thiadiazolylthio arylacetamide preparation docking pharmacokinetic urease inhibitor.

Novel 2-((5-amino-1,3,4-thiadiazol-2-yl)thio)-N-arylacetamide derivatives I [R = 4-MeOC6H4, 4-methylisoxazol-3-yl, 5-chloro-2-pyridyl, etc.] were designed, synthesized and evaluated in vitro for their urease inhibitor activities. The compounds were synthesized efficiently in three steps in high isolated yields from amines, 2-chloroacetyl chloride, hydrazinecarbothioamide and carbon disulfide. The mol. docking simulation were performed using AutoDock4 by docking all synthesized compound and standard inhibitors into the crystal structure of Jack bean urease. Comparison between the urease inhibitory activity of compounds with the IC50 of (2.85-5.83μM) and thiourea and hydroxyurea as standards inhibitors with the IC50 of (22.00 and 100.00μM, resp.) proved the high activity of the synthesized compounds against the mentioned enzyme. Docking results were in good agreement with exptl. results and indicate that synthesized compounds could interact well with the active site of the urease enzyme and among all; compound I [R = 5-methyl-2-pyridyl] showed more favorable interactions with the active site which confirm its great inhibitory activity with IC50 of 2.85μM. Therefore, compound I [R = 5-methyl-2-pyridyl] might be a promising candidate for further evaluation.

Medicinal Chemistry Research published new progress about Acetamides Role: PAC (Pharmacological Activity), PKT (Pharmacokinetics), PRP (Properties), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), PREP (Preparation), USES (Uses). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, SDS of cas: 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Liang, Xiayu; Yu, Peng; Fu, Chen; Shen, Yongcun published the artcile< Organotin-catalyzed synthesis of hydroxyalkylamides from lactones via a ring-opening process>, Quality Control of 3959-07-7, the main research area is primary amine lactone dibutyltin acetate catalyst ring opening amidation; hydroxyalkylamide preparation.

A new strategy for the facile synthesis of hydroxyalkylamides through the ring-opening reaction of lactones with amine promoted by dibutyltin acetate was developed. A series of hydroxyalkylamide compounds were obtained and the method was successfully applied to the synthesis of pharmaceutically active mols. tyrosinase inhibitor V and HDAC inhibitor VI via a three-step synthetic pathway. The broad substrate scope, mild reaction conditions and practical application proved the effectiveness, compatibility and practicality of this method.

Tetrahedron Letters published new progress about Aliphatic alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Quality Control of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary

Mugnaini, Claudia; Pasculini, Livia; Pagli, Carlotta; Brizzi, Antonella; Paolino, Marco; Gianibbi, Beatrice; Corelli, Federico published the artcile< Synthesis of pyrazolo[1,5-a]pyrimidine ring as a possible bioisosteric replacement of the 5-(1H-pyrrol-1-yl)pyrazole scaffold>, Quality Control of 3959-07-7, the main research area is pyrazolopyrimidine preparation.

Reaction of 3-amino-1H-pyrazole-4-carbonitrile with 2,4-pentanedione yielded 5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile, which was easily and efficiently transformed into a small library of amido derivatives I (R = 4-bromophenyl, 6-chloropyridin-3-yl, 6-(pyridin-3-yl)pyridin-3-yl, etc.). This procedure opens the way to new compounds potentially endowed with interesting biol. activities.

ARKIVOC (Gainesville, FL, United States) published new progress about Boronic acids Role: RCT (Reactant), RACT (Reactant or Reagent). 3959-07-7 belongs to class bromides-buliding-blocks, and the molecular formula is C7H8BrN, Quality Control of 3959-07-7.

Referemce:
Bromide – Wikipedia,
bromide – Wiktionary