WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 206181
Description: Entrectinib, also known as RXDX-101 and NMS-E628, is an oral small molecule inhibitor of TrkA, TrkB and TrkC, as well as ROS1 and ALK, with high potency and selectivity. RXDX-101 has demonstrated potent pharmacological activity in preclinical studies and has the potential to be first-in-class against the Trk family of kinases. PXDX-101 has been well tolerated in patients with advanced solid tumors. PXDX-101 is currently in clinical trials, and is being developed by Ignyta.
MedKoo Cat#: 206181
Chemical Formula: C31H34F2N6O2
Exact Mass: 560.27113
Molecular Weight: 560.64
Elemental Analysis: C, 66.41; H, 6.11; F, 6.78; N, 14.99; O, 5.71
Synonym: RXDX101; RXDX 101; RXDX-101; NMS E628; NMS-E628; Entrectinib
IUPAC/Chemical Name: N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide
InChi Key: HAYYBYPASCDWEQ-UHFFFAOYSA-N
InChi Code: InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
SMILES Code: O=C(NC1=NNC2=C1C=C(CC3=CC(F)=CC(F)=C3)C=C2)C4=CC=C(N5CCN(C)CC5)C=C4NC6CCOCC6