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.
Keywords
, 9-Chloro-4-methyl-6, 11-dihydro-5H-benzo[b]pyrimido[4, 5-e][1, 4]diazepine · Heterocyclization · BRD4 · Inhibitory effects
@article{paperid:1095826,
author = {Assadzadeh, Fahimeh and Afrough, Toktam and Eshghi, Hossein and , },
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},
journal = {Journal of the Iranian Chemical Society},
year = {2023},
volume = {20},
number = {12},
month = {September},
issn = {1735-207X},
keywords = {9-Chloro-4-methyl-6;11-dihydro-5H-benzo[b]pyrimido[4;5-e][1;4]diazepine · Heterocyclization · BRD4 ·
Inhibitory effects},
}
%0 Journal Article
%T 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 Assadzadeh, Fahimeh
%A Afrough, Toktam
%A Eshghi, Hossein
%A ,
%J Journal of the Iranian Chemical Society
%@ 1735-207X
%D 2023
