Design and synthesis of new N-substituted benzimidazolidinone as predicted human BRD4 and human chymase inhibitors via molecular docking studies

Ameni Ghabi,Hasan Mtiraoui,Amel Haouas,Hanan Al-Ghulikah,Morgane Sanselme,Moncef Msaddek

JOURNAL OF MOLECULAR STRUCTURE（2023）

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摘要

•Double chlorination of 1,5-benzodiazepin-2-one using a one-pot addition of DMSO/MsCl.•The final targets were obtained via 1,3-sigmatropic rearrangement of double chlorinated 1,5-benzodiazepin-2-one.•Identification of synthesized derivatives by 1H NMR, 13C NMR.•Confirmation of one of obtained structures by X-ray diffraction.

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关键词

Benzimidazolidinone,Chlorination,[1,3]-sigmatropic rearrangement,1,5-benzodiazepin-2-one,Human brd4,Human chymase,Molecular docking

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