Journal of the Iranian Chemical Society, ( ISI ), Volume (20), No (12), Year (2023-9)
Title : ( A convenient one‑pot synthesis of novel heterocyclic systems of 9‑chloro‑4‑methyl‑6,11‑dihydro‑5H‑benzo[b]pyrimido[4,5‑e][1,4] diazepine and inhibitory evaluation against bromodomain‑containing protein 4 (BRD4) enzyme by molecular docking )
Authors: Fahimeh Assadzadeh , Toktam Afrough , Hossein Eshghi , ,
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Abstract
A convenient one-pot two-step strategy for synthesis of the novel tricyclic system 9-chloro-4-methyl-6,11-dihydro- 5H-benzo[b]pyrimido[4,5-e][1,4]diazepine have been synthesized through the heterocyclization reaction of 2,4-dichloro- 5-(chloromethyl)-6-methylpyrimidine with 4-chloro-o-phenylenediamine under basic conditions. Various derivatives were obtained via treatment with secondary amines. Also, the inhibitory effects of the synthesized compound against bromodomain-containing protein 4 (BRD4) have been evaluated by molecular docking. The results reveal that among the studied compounds (5f) is a more potent inhibitor against this enzyme.
