Category: 72235-54-2

Computed Properties of C7H7ClFNOn November 25, 2020 ,《X-ray Structure and Molecular Docking Guided Discovery of Novel Chitinase Inhibitors with a Scaffold of Dipyridopyrimidine-3-carboxamide》 appeared in Journal of Agricultural and Food Chemistry. The author of the article were Yuan, Pengtao; Jiang, Xi; Wang, Siyu; Shao, Xusheng; Yang, Qing; Qian, Xuhong. The article conveys some information:

Chitinases are the glycosyl hydrolase for catalyzing the degradation of chitin and play an indispensable role in bacterial pathogenesis, fungal cell wall remodeling, and insect molting. Thus, chitinases are attractive targets for therapeutic drugs and pesticides. Here, we present a strategy of developing a novel chemotype of chitinase inhibitors by the construction of planar heterocycles that can stack with conserved aromatic residues. The rational design, guided by crystallog. anal. and docking results, leads to a series of dipyridopyrimidine-3-carboxamide derivatives as chitinase inhibitors. Among them, compound 6t showed the most potent activity against bacterial chitinase SmChiB and insect chitinase OfChi-h, with a Ki value of 0.14 and 0.0056μM, resp. The strong stacking interaction of compound 6p with Trp99 and Trp220 found in the SmChiB-6p co-crystal structure verifies the feasibility of our design. Our results provide novel insights into developing potent chitinase inhibitors for pathogen and pest control. After reading the article, we found that the author used (2-Chloro-3-fluorophenyl)methanamine(cas: 72235-54-2Computed Properties of C7H7ClFN)

(2-Chloro-3-fluorophenyl)methanamine(cas: 72235-54-2) belongs to anime. In organic chemistry, amines are compounds and functional groups that contain a basic nitrogen atom with a lone pair. Amines are formally derivatives of ammonia (NH3), wherein one or more hydrogen atoms have been replaced by a substituent such as an alkyl or aryl group (these may respectively be called alkylamines and arylamines; amines in which both types of substituent are attached to one nitrogen atom may be called alkylarylamines).Computed Properties of C7H7ClFN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

《Synthesis, characterization and biological evaluation of novel series of [2-(benzylamino)-2-oxoethyl]-2-oxo-2H-1-benzopyran-3-carboxamide derivatives》 was published in Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry in 2020. These research results belong to Naik, Mamata Devendra; Bodke, Yadav D.; Ajeesh Kumar, A. K.; Naik, Jayanth K.; Shastri, Sudhesh L.. COA of Formula: C7H7ClFN The article mentions the following:

A novel series of benzopyran-3-carboxamide derivatives I (R = Ph, 2-chlorophenyl, 4-methoxyphenyl, 2-chloro-3-fluorophenyl, etc.) have been designed and synthesized using a smooth and linear multistep synthesis. Amidation of coumarin-3-carboxylic acid with glycine Et ester in the presence of EDC.HCl and HOBt as coupling agent followed by the hydrolysis results in the formation of key synthon, [(2-oxo-2H-1-benzopyran-3-carbonyl) amino] acetic acid which is further coupled with substituted aryl amines RCH2NH2 using HATU in combination with Hunig’s base to get the target compounds I. The synthesized compounds I have been screened for their in vitro antibacterial and antioxidant activity and the results are expressed as MIC and IC 50 values resp. Further, the binding ability of synthesized compounds I with different proteins have been examined by mol. docking studies. In the experiment, the researchers used many compounds, for example, (2-Chloro-3-fluorophenyl)methanamine(cas: 72235-54-2COA of Formula: C7H7ClFN)

(2-Chloro-3-fluorophenyl)methanamine(cas: 72235-54-2) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.COA of Formula: C7H7ClFN

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics