Design, synthesis, HER2 inhibition and anticancer evaluation of new substituted 1,5-dihydro-4,1-benzoxazepines

A series of 11 new substituted 1,5-dihydro-4,1-benzoxazepine derivatives was synthesised to study the influence methyl group in 1-(benzenesulphonyl) moiety, replacement purine by benzotriazole bioisosteric analogue, and introduction a bulky substituent at position 6 purine, on biological effects. Their inhibition against isolated HER2 studied structure–activity relationships have been confirmed molecular modelling studies. The most potent compound is 9a with an IC50 7.31 µM. We investigated effects target compounds cell proliferation. active (7c) all tumour lines (IC50 0.42–0.86 µM) does not produce any modification expression pro-caspase 3, but increases caspase 1 expression, promotes pyroptosis.