Structural optimization of aminopyrimidine-based CXCR4 antagonists was written by Zhu, Fang;Wang, Yujie;Du, Qian;Ge, Wenxiang;Li, Zhanhui;Wang, Xu;Fu, Chunyan;Luo, Lusong;Tian, Sheng;Ma, Haikuo;Zheng, Jiyue;Zhang, Yi;Sun, Xiaotian;He, Sudan;Zhang, Xiaohu. And the article was included in European Journal of Medicinal Chemistry in 2020.SDS of cas: 638-07-3 The following contents are mentioned in the article:
Structural optimization of aminopyrimidine-based CXCR4 antagonists is reported. The optimization is guided by mol. docking studies based on available CXCR4-small mol. crystal complex. The optimization identifies a number of compounds with improved receptor binding affinity and functional activity exemplified by compound 23 (inhibition of APC-conjugate clone 12G5 for CXCR4 binding in a cell based assay: IC50 = 8.8 nM; inhibition of CXCL12 induced cytosolic calcium increase: IC50 = 0.02 nM). In addition, compound 23 potently inhibits CXCR4/CXLC12 mediated chemotaxis in a matrigel invasion assay. Furthermore, compound 23 exhibits good physicochem. properties (MW 367, clogP 2.1, PSA 48, pKa 7.2) and in vitro safety profiles (marginal/moderate inhibition of CYP isoenzymes and hERG). These results represent significant improvement over the initial hit from scaffold hybridization and suggest that compound 23 can be used as a starting point to support lead optimization. This study involved multiple reactions and reactants, such as Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3SDS of cas: 638-07-3).
Ethyl 4-chloro-3-oxobutanoate (cas: 638-07-3) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.SDS of cas: 638-07-3
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics