Products 698387-09-6

CAS 698387-09-6 appears in our catalog under these names: Neratinib, Neratinib/ 96.17% (existing batch purity), Neratinib (HKI–272), Neratinib, >95.0%(HPLC)(T), Neratinib, 98.00%. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, TCI. Available pack sizes: on request, 100mg, 10mg, 5mg, 25mg, 50mg, 200mg, 500mg.

Structural formula: {0} (CAS {1})

Neratinib is a quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enoylamido group at the 6-position, and an ethoxy group at the 7-position. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is a nitrile and a member of quinolines.

Source: ChEBI

Identity
Molecular formulaC30H29ClN6O3
Molecular weight557.0 g/mol
IUPAC name(E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
InChIKeyJWNPDZNEKVCWMY-VQHVLOKHSA-N
SMILESCCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)/C=C/CN(C)C

Computed by PubChem (NCBI)