Products 850140-72-6

CAS 850140-72-6 appears in our catalog under these names: Afatinib (BIBW 2992), Afatinib, >95% (HPLC), Afatinib/ 99.9%, Afatinib - Bio-X â„¢, Afatinib. Offered by: Chemat Brand, TRC, TargetMol, Biosynth, TCI. Available pack sizes: on request, 100mg, 250mg, 25mg, 5mg, 10mg, 50mg, 200mg.

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

Afatinib is a quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group at the 7-position. Used (as its dimaleate salt) for the first-line treatment of patients with metastatic non-small cell lung cancer. It has a role as an antineoplastic agent and a tyrosine kinase inhibitor. It is a secondary carboxamide, a member of furans, an aromatic ether, an organofluorine compound, a member of quinazolines, a tertiary amino compound, an enamide and a member of monochlorobenzenes.

Source: ChEBI

Identity
Molecular formulaC24H25ClFN5O3
Molecular weight485.9 g/mol
IUPAC name(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
InChIKeyULXXDDBFHOBEHA-CWDCEQMOSA-N
SMILESCN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4

Computed by PubChem (NCBI)