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

A convenient one-pot two- step strategy for synthesis of the novel tricyclic system 9-chloro- 4-methyl-6,11-dihydro5H-benzo[b]pyrimido[4,5- e][1,4]diazepine have been synthesized through the heterocyclization reaction of 2,4-dichloro5-(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. [GRAPHICS]

Automated summary

A convenient one-pot two-step strategy was used to synthesize a novel tricyclic compound, and its inhibitory effect against bromodomain-containing protein 4 (BRD4) was evaluated.