Products 1108743-60-7
CAS 1108743-60-7 appears in our catalog under these names: Entrectinib, Entrectinib/ 99.61% (existing batch purity), Entrectinib, 98%, N-[5-[(3,5-Difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]benzamide, 98%, 98%, Entrectinib, 99.87%. Offered by: Chemat Brand, GLPBio, TargetMol, Thermo Scientific (Acros), Chemat. Available pack sizes: on request, 100mg, 25mg, 5mg, 10mM (in 1ml dmso), 2mg, 10mg, 50mg.
Entrectinib is a member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. It has a role as an antibacterial agent, an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of benzamides, a difluorobenzene, a member of indazoles, a N-methylpiperazine, a member of oxanes and a secondary amino compound.
Source: ChEBI
| Molecular formula | C31H34F2N6O2 |
|---|---|
| Molecular weight | 560.6 g/mol |
| IUPAC name | N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide |
| InChIKey | HAYYBYPASCDWEQ-UHFFFAOYSA-N |
| SMILES | CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6 |
Computed by PubChem (NCBI)