, vol. 63, issue 24, pp. 15906-15945, 2020.
HER2 kinase as a well-established target for breast cancer (BC) therapy is associated with aggressive clinical outcomes; thus, herein we present structural optimization for HER2-selective targeting. HER2 profiling of the developed derivatives demonstrated potent and selective inhibitions (IC: 5.4-12 nM) compared to lapatinib (IC: 95.5 nM). Favorably, exhibited minimum off-target kinase activation. NCI-5-dose screening revealed broad-spectrum activities (GI: 1.43-2.09 μM) and had a remarkable selectivity toward BC. Our compounds revealed significant selective and potent antiproliferative activities (∼20-fold) against HER2+ (AU565, BT474) compared to HER2(-) cells. At 0.1 IC, , , and inhibited pERK1/2 and pAkt by immunoblotting. Furthermore, demonstrated potent tumor regression against the BT474 xenograft model. Notably, a metastasis case was observed in the vehicle but not in the test mice groups. CD-1 mice metabolic stability assay revealed high stability and low intrinsic clearance of ( > 145 min and CL < 9.6 mL/min/kg).