Structural Optimization of Pyrazole Compounds as Hsp90 Regulators with Enhanced Antitumor Activity

Targeting Hsp90 is an effective strategy for cancer therapy. TAS-116 has been approved for the treatment of gastrointestinal stromal tumors. Our previous studies identified a series of pyrazole derivatives as covalent Hsp90 inhibitors that allosterically disrupt the Hsp90-Cdc37 interaction. Here, th...

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Main Author: Zi-Wen Feng (14608411) (author)
Other Authors: Li Li (14993) (author), Shi-Duo Zhang (14608414) (author), Ying-Ji Wang (21228156) (author), Jia-Yue Pei (21228159) (author), Nan-Nan Chen (15198729) (author), Bei-Duo Wu (15198735) (author), Qiu-Ling Zheng (13119805) (author), Qi-Dong You (294415) (author), Xiao-Ke Guo (459015) (author), Xiao-Li Xu (404540) (author)
Published: 2025
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Summary:Targeting Hsp90 is an effective strategy for cancer therapy. TAS-116 has been approved for the treatment of gastrointestinal stromal tumors. Our previous studies identified a series of pyrazole derivatives as covalent Hsp90 inhibitors that allosterically disrupt the Hsp90-Cdc37 interaction. Here, through systematic structure–activity relationship (SAR) optimization, compound <b>39</b> (<b>DDO-6691</b>) with a new covalent warhead was developed, which demonstrates improved ADME properties and significantly enhanced antitumor activity. Notably, parental HCT-116 cells exhibited markedly greater sensitivity to compound <b>39</b> (IC<sub>50</sub> > 50 μM) compared to their Cdc37-knockout counterparts. Importantly, compound <b>39</b> displayed potent tumor growth inhibition in HCT-116 xenograft mouse models. These collective findings underscore the therapeutic promise of covalent Hsp90-targeted disruption of the Hsp90-Cdc37 complex, offering a novel mechanistic approach to cancer treatment.