Mertansine-13C-d3

Mertansine-13C-d3 is intended for use as an internal standard for the quantification of mertansine (Cay-22483) by GC- or LC-MS. Mertansine is a synthetic maytansinoid antimitotic agent. It is cytotoxic to KB epidermoid carcinoma and SK-BR-3 breast cancer cells (IC50 = 1. nM for both). Mertansine has commonly been used as a payload in antibody-drug conjugates (ADCs) that selectively target cancer cells in vitro and in animal models. Formulations containing mertansine conjugated to ado-trastuzumab have been used in the treatment of HER2+ breast cancer. InChI: InChI=1S/C35H48ClN3O10S/c1-19-10-9-11-26(46-8)35(44)18-25(47-33(43)37-35)20(2)31-34(4,49-31)27(48-32(42)21(3)38(5)28(40)12-13-50)17-29(41)39(6)23-15-22(14-19)16-24(45-7)30(23)36/h9-11,15-16,20-21,25-27,31,44,50H,12-14,17-18H2,1-8H3,(H,37,43)/b11-9+,19-10+/t20-,21+,25+,26-,27+,31+,34+,35+/m1/s1/i5+1D3, InChIKey: ANZJBCHSOXCCRQ-FDFSHFCXSA-N, SMILES: C[C@@]1([C@@H](O1)[C@H](C)[C@]([H])(C[C@](N2)(O)[C@H](OC)/C=C/C=C(CC3=CC(OC)=C(Cl)C4=C3)\C)OC2=O)[C@@]([H])(OC([C@@H](N([13C]([2H])([2H])[2H])C(CCS)=O)C)=O)CC(N4C)=O