Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl (Contained ~8.5percent Ethanol)

• CAT Number: R025156
• CAS Number: 314771-76-1
• Molecular Formula: C18H16ClFN4O2
• Molecular Weight: 374.81
• Purity: ≥95%
• Synonyms: N4-(3-Chloro-4-fluorophenyl)-7-[[(3S)-tetrahydro-3-furanyl]oxy]-4,6-quinazolinediamine; (S)-N4-(3-Chloro-4-fluorophenyl)-7-((tetrahydrofuran-3-yl)oxy)quinazoline-4,6-diamine; Des(4-dimethylamino-2-en-1-oxo)butyl Afatinib
• Storage: -20°C
• IUPAC Name: 4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
• InChI: InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1
• InChIKey: BIQABKFYKJRXII-NSHDSACASA-N
• SMILES: C1COCC1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N

Afatinib-des(4-dimethylamino-2-en-1-oxo)butyl(CAT: R025156) is a key metabolite of afatinib, a second-generation irreversible tyrosine kinase inhibitor (TKI) targeting EGFR and HER2 receptors. This derivative retains the core anilino-quinazoline structure, critical for receptor binding, but lacks the reactive butenamide side chain, making it inactive as a kinase inhibitor. It serves as a reference standard in pharmacokinetic and metabolic profiling studies. Its presence helps elucidate afatinib’s biotransformation pathways, contributing to drug safety and efficacy assessments. This compound is valuable for researchers investigating drug metabolism, pharmacodynamics, and the design of more selective and stable EGFR-targeting agents in cancer therapy.