Epertinib (hydrochloride)

Epertinib is an inhibitor of EGFR, HER2, and HER4 (IC50s = 1.48, 7.15, and 2.49 nM, respectively). It is selective for these kinases over VEGFR2, insulin-like growth factor 1 receptor (IGF-1R), c-Src, KIT, and PDGFRbeta (IC50s = >10,000 nM for all). Epertinib inhibits EGFR and HER2 autophosphorylation in NCI N87 gastric carcinoma cells (IC50s = 4.5 and 1.6 nM, respectively). It selectively inhibits the growth of NCI N87, BT474 breast, and HT115 colon carcinoma cancer cell lines (IC50s = 8.3, 9.9, and 53.3 nM, respectively) over fR2 breast epithelial cells and MRC-5 fibroblasts (IC50s = 5,366.7 and 4,964.6 nM, respectively). Epertinib (12.5 or 50 mg/kg per day) decreases tumor volume in an NCI N87 mouse xenograft model. InChI: InChI=1S/C30H27ClFN5O3.ClH/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20,/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36),1H/b37-27+,/t24-,/m1./s1 InChIKey: NVWJPQQXBPWOOA-PLXRJBJVSA-N SMILES: FC1=CC=CC(COC(C=CC(NC2=NC=NC3=C2C=C(C=C3)/C(C#CC)=N/OC[C@@H]4NCCOC4)=C5)=C5Cl)=C1.Cl