Products 1042385-75-0

CAS 1042385-75-0 appears in our catalog under these names: Dacomitinib, 95%, Dacomitinib hydrate/ 98.05% (existing batch purity), Dacomitinib hydrate, Dacomitinib hydrate 98%, (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide hydrate, 99%, 99%. Offered by: Combi-blocks, TargetMol, GLPBio, Ambeed, Chemat. Available pack sizes: 100mg, 250mg, 1g, 5mg, 10mg, 25mg, 50mg, 200mg.

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

Dacomitinib is a member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group. It has a role as an antineoplastic agent and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of piperidines, a member of quinazolines, a secondary amino compound, a tertiary amino compound, an enamide, a member of monochlorobenzenes and a member of monofluorobenzenes.

Source: ChEBI

Identity
Molecular formulaC24H25ClFN5O2
Molecular weight469.9 g/mol
IUPAC name(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
InChIKeyLVXJQMNHJWSHET-AATRIKPKSA-N
SMILESCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)/C=C/CN4CCCCC4

Computed by PubChem (NCBI)