O-De(3-fluorobenzyl) Lapatinib Ditosylate Salt

CAS: 1268997-70-1

Ref. TR-D228750

Product Information

• Name: O-De(3-fluorobenzyl) Lapatinib Ditosylate Salt
• Synonyms: 2-Chloro-4-[[6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4-quinazolinyl]amino]phenol Ditosylate
• Brand: TRC
• Description: Applications A reactive metabolite of Lapatinib (L175800) which is associated with various drug toxicities. Lapatinib is metabolized mainly by P450 3A4 to form O- and N-dealkylated metabolites.; References He, K., et al.: Chem. Res. Toxicol., 11, 252 (1998), Rusnuk, D., et al.: Cancer Res., 61, 7196 (2001), Li, X., et al.: Drug Metab. Dispos., 37, 1242 (2009),

Chemical properties

• Molecular weight: 817.35
• Formula: C₃₆H₃₇ClN₄O₁₀S₃
• Color/Form: Neat
• InChI: InChI=1S/C22H21ClN4O4S.C7H7O3S/c1-32(29,30)9-8-24-12-16-4-7-21(31-16)14-2-5-19-17(10-14)22(26-13-25-19)27-15-3-6-20(28)18(23)11-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10-11,13,24,28H,8-9,12H2,1H3,(H,25,26,27);2-4H,1H3,(H,8,9,10)
• InChI key: InChIKey=CPJRBOJDBLZZMN-UHFFFAOYSA-N
• SMILES: CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(O)c(Cl)c4)c3c2)o1.Cc1c[c]c(S(=O)(=O)O)cc1