1375830-58-2Relevant academic research and scientific papers
Design and synthesis of novel benzoheterocyclic derivatives as human acrosin inhibitors by scaffold hopping
Chen, Qianqian,Tian, Wei,Han, Guangqian,Qi, Jingjing,Zheng, Canhui,Zhou, Youjun,Ding, Lili,Zhao, Juntao,Zhu, Ju,Lv, Jiaguo,Sheng, Chunquan
, p. 176 - 182 (2013/03/13)
Human acrosin is an attracting target for the development of novel male contraceptives. Scaffold hopping was used to optimize the isoxazolecarbaldehyde human acrosin inhibitors and extend their structure-activity relationships. Four kinds of scaffolds, namely benzimidazole, benzothiazole, 3H-indazole, and 5-phenyl-1H-pyrazole, were designed and synthesized. Most of the synthesized compounds showed potent human acrosin inhibitory activity and their binding modes were investigated by molecular docking. The scaffold of the compounds was found to be important for the inhibitory activity. Several compounds were more active than the positive control TLCK, suggesting that they can serve as good starting points for the discovery of novel male contraceptive agents.
Synthesis and acrosin inhibitory activity of methyl 5-substituted-1H- benzo[d]imidazol-2-yl carbamate derivatives
Liu, Xuefei,Chen, Qianqian,Zhu, Ju,Fan, Yongzheng,Ding, Lili,Zhao, Juntao,Han, Guangqian,Tian, Wei,Qi, Jingjing,Zhou, Youjun,Lv, Jiaguo
, p. 3554 - 3559 (2012/06/18)
A series of novel methyl 5-substituted 1H-benzo[d]imidazol-2-ylcarbamates were designed, synthesized, and their acrosin inhibitory activities evaluated in vitro. The results of acrosin inhibitory activity showed that all title compounds were more potent than the control TLCK. Compound 4w displayed the most potent acrosin inhibitory activity among all the compounds, with an IC 50 of 6.3 × 10-5 M. The studies provide a new structural class for the development of novel acrosin inhibitory agents.
