Lin, Yu; Li, Zhanhui; Xu, Chen; Xia, Kaijiang; Wu, Shuwei; Hao, Yongjin; Yang, Qing; Ma, Haikuo; Zheng, Jiyue; Luo, Lusong; Zhu, Fang; He, Sudan; Zhang, Xiaohu published the artcile< Design, synthesis, and evaluation of novel CXCR4 antagonists based on an aminoquinoline template>, Category: esters-buliding-blocks, the main research area is CXCR4 antagonists chemokine CXCL12 GPCR aminoquinoline binding affinity migration; Aminoquinoline; Antagonist; CXCL12; CXCR4; Chemokine; GPCR.
The chemokine receptor CXCR4 has been explored as a drug target due to its involvement in pathol. conditions such as HIV infection and cancer metastasis. Here we report the structure-activity relationship study of novel CXCR4 antagonists based on an aminoquinoline template. This template is devoid of the chiral center in the classical tetrahydroquinoline (THQ) ring moiety and therefore can be easily synthesized. A number of potent CXCR4 antagonists were identified, exemplified by compound 3(I), which demonstrated excellent binding affinity with CXCR4 receptor (IC50 = 57 nM) and inhibited CXCL12 induced cytosolic calcium increase (IC50 = 0.24 nM). Furthermore, compound 3 potently inhibited CXLC12/CXCR4 mediated cell migration in a transwell invasion assay. The simplified synthetic approach combined with good physicochem. properties (e.g. MW 362, clogP 2.1, PSA 48, pKa 7.0 for compound 3) demonstrate the potential of this aminoquinoline template as a novel scaffold to develop CXCR4 antagonists.
Bioorganic Chemistry published new progress about Cell migration. 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Category: esters-buliding-blocks.
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