AC480 HCl

Description: AC480 HCl (also known as BMS-599626 HCl) is a novel, potent, orally bioavailable, selective and efficacious inhibitor of HER1 and HER2 (human epidermal growth factor receptors) with IC50 of 20 nM and 30 nM, ca.8-fold less potent to HER4, > 100-fold to VEGFR2, c-Kit, Lck, MET etc. AC480 by oral administration has been demonstrated to suppress the growth of Sal2 tumor, GEO xenograft tumor, KPL-4 and BT474 breast tumors, N87 gastric tumor, A549 and L2987 non–small-cell lung tumors in nude mice.

References: Clin Cancer Res. 2006 Oct 15; 12(20 Pt 1):6186-93; Invest New Drugs. 2011 Aug; 29(4):554-61.

Related CAS: 714971-09-2 (free base)

Chemical Name: (S)-morpholin-3-ylmethyl (4-((1-(3-fluorobenzyl)-1H-indazol-5-yl)amino)-5-methylpyrrolo[2, 1-f][1, 2, 4]triazin-6-yl)carbamate hydrochloride

InChi Key: COUSSRGSHIJMMN-FTBISJDPSA-N

InChi Code: InChI=1S/C27H27FN8O3.ClH/c1-17-23(34-27(37)39-15-22-14-38-8-7-29-22)13-36-25(17)26(30-16-32-36)33-21-5-6-24-19(10-21)11-31-35(24)12-18-3-2-4-20(28)9-18; /h2-6, 9-11, 13, 16, 22, 29H, 7-8, 12, 14-15H2, 1H3, (H, 34, 37)(H, 30, 32, 33); 1H/t22-; /m0./s1

SMILES Code: O=C(OC[CH]1NCCOC1)NC2=CN3N=CN=C(NC4=CC5=C(N(CC6=CC=CC(F)=C6)N=C5)C=C4)C3=C2C.[H]Cl