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Molecules 2016, 21(7), 876; doi:10.3390/molecules21070876

Design, Synthesis and Biological Evaluation of Novel Benzothiazole Derivatives as Selective PI3Kβ Inhibitors

1,2,†
,
1,†
,
2
,
2
and
1,*
1
Laboratory of Computer-Aided Drug Design & Discovery, Beijing Institute of Pharmacology and Toxicology, Beijing 100850, China
2
Hubei Key Laboratory of Novel Chemical Reactor and Green Chemical Technology, Wuhan Institute of Technology, Wuhan 430073, Hubei, China
These authors contributed equally to this work.
*
Author to whom correspondence should be addressed.
Academic Editor: James W. Leahy
Received: 5 June 2016 / Revised: 22 June 2016 / Accepted: 24 June 2016 / Published: 2 July 2016
(This article belongs to the Special Issue Kinase Inhibitor Chemistry)
View Full-Text   |   Download PDF [4853 KB, uploaded 2 July 2016]   |  

Abstract

A novel series of PI3Kβ (Phosphatidylinositol-3-kinases beta subunit) inhibitors with the structure of benzothiazole scaffold have been designed and synthesized. All the compounds have been evaluated for inhibitory activities against PI3Kα, β, γ, δ and mTOR (Mammalian target of rapamycin). Two superior compounds have been further evaluated for the IC50 values against PI3Ks/mTOR. The most promising compound 11 displays excellent anti-proliferative activity and selectivity in multiple cancer cell lines, especially in the prostate cancer cell line. Docking studies indicate the morpholine group in 2-position of benzothiazole is necessary for the potent antitumor activity, which confirms our design is reasonable. View Full-Text
Keywords: PI3Kβ; mTOR; kinase inhibitor; docking PI3Kβ; mTOR; kinase inhibitor; docking
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Cao, S.; Cao, R.; Liu, X.; Luo, X.; Zhong, W. Design, Synthesis and Biological Evaluation of Novel Benzothiazole Derivatives as Selective PI3Kβ Inhibitors. Molecules 2016, 21, 876.

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