Afatinib-d6 Dimaleate

CAS: 850140-73-7

Ref. TR-A355317

Product Information

• Name: Afatinib-d6 Dimaleate
• Synonyms: (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-2-butenamide (2Z)-2-butenedioate-d6, BIBW 2992MA2-d6, 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-7-[[(3S)-tetrahydro-3-furanyl]oxy]-6-quinazolinyl]-4-(dimethylamino)-, (2E)-, (2Z)-2-butenedioate (1:2), BIBW2992 DiMaleate, Bibw 2992Ma2, Bibw2992-Ma2
• CAS: 850140-73-7

Description

Applications Afatinib-d6 Dimaleate is deuterium labelled Afatinib Dimaleate, which is a salt of Afatinib (BIBW 2992) (B377000). BIBW 2992 is an aminocrotonylamino-substituted quinazoline derivative used for treating cancer and diseases of the respiratory tract, lungs, gastrointestinal tract, bile duct, and gallbladder. An anilino-quinazoline that irreversibly inhibits EGFR and HER2 kinase activity.
References D, Li. et al.: Oncogene., 27, 4702 (2008); Wang, X. et al.: Cancer Res., 74, 4431 (2014)

• Brand: TRC

Chemical properties

• Molecular weight: 608.048
• Formula: C₂₄D₆H₁₉ClFN₅O₃·C₄H₄O₄
• Color/Form: Neat
• InChI: InChI=1S/C24H25ClFN5O3.C4H4O4/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15;5-3(6)1-2-4(7)8/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29);1-2H,(H,5,6)(H,7,8)/b4-3+;2-1-/t16-;/m0./s1/i1D3,2D3
• InChI key: InChIKey=LIENDGDDWJRJLO-JIUOTHPNSA-N
• SMILES: O=C(O)/C=C\C(=O)O.[2H]C([2H])([2H])N(C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1)C([2H])([2H])[2H]