In 2016,Agrawal, Neetesh; Machhi, Jatin; Rathwa, Virendra; Kanhed, Ashish M.; Patel, Sagar; Murumkar, Prashant; Gandhi, Hardik; Yadav, Mange Ram published 《Exploration of 6,7-dimethoxyquinazoline derivatives as dual acting α1- and AT1-receptor antagonists: synthesis, evaluation, pharmacophore & 3D-QSAR modeling and receptor docking studies》.RSC Advances published the findings.SDS of cas: 1129-28-8 The information in the text is summarized as follows:
The 6,7-dimethoxyquinazoline scaffold was further explored to provide dual acting α1- and AT1-receptor antagonists by synthesizing a series of derivatives and biol. evaluating the newly synthesized compounds Based on the biol. data of the current compounds and the earlier reported compounds, pharmacophore models were developed for α1- and AT1-receptor antagonist activities. Subsequently, 3D-QSAR models were also derived for antagonism for both the receptors. The developed 3D-QSAR models were validated using various statistical parameters and both the developed models were further validated using terazosin and prazosin as external compounds Docking studies confirmed receptor-ligand stabilizing interactions of the balanced-dual active antagonist (110) in the active sites of both α1- as well as AT1-receptors, the structures of which were obtained by homol. modeling. Two (42 and 110) of the compounds from the newly synthesized derivatives offered the highest potency (pA2 for α1 = 9.45 and 8.77 and AT1 = 8.36 and 8.60 resp.) with balanced modulation of both the receptors. Both the compounds were found to be slightly less potent to terazosin as α1-antagonists and equipotent to losartan as AT1-antagonists in the in vivo animal model. In the experiment, the researchers used Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8SDS of cas: 1129-28-8)
Methyl 3-(bromomethyl)benzoate(cas: 1129-28-8) belongs to organobromine compounds.Depending on the type of carbon to which the bromine is bonded, organic bromide could be alkyl, alkenyl, alkynyl, or aryl. Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. SDS of cas: 1129-28-8
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary