DM1-SMe

DM1-SMe is an analog of mertansine (DM1, Cay-22483) with a thiomethane cap attached to the sulfhydryl group. It has in vitro activity against the pediatric preclinical testing program (PPTP) panel of cancer cell lines with IC50 values of 0.002 to >3 nM.Formal Name: N2'-deacetyl-N2'-[3-(methyldithio)-1-oxopropyl]-maytansine. CAS Number: 138148-68-2. Molecular Formula: C36H50ClN3O10S2. Formula Weight: 784.4. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 16 mg/ml, DMF:PBS (pH 7.2) (1:5): 0.16 mg/ml, DMSO: 12 mg/ml. lambdamax: 234, 254, 280 nm. 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(C)C(CCSSC)=O)C)=O)CC(N4C)=O. InChi Code: InChI=1S/C36H50ClN3O10S2/c1-20-11-10-12-27(47-8)36(45)19-26(48-34(44)38-36)21(2)32-35(4,50-32)28(49-33(43)22(3)39(5)29(41)13-14-52-51-9)18-30(42)40(6)24-16-23(15-20)17-25(46-7)31(24)37/h10-12,16-17,21-22,26-28,32,45H,13-15,18-19H2,1-9H3,(H,38,44)/b12-10+,20-11+/t21-,22+,26+,27-,28+,32+,35+,36+/m1/s1. InChi Key: ZLUUPZXOPGORNG-JLZGXKMHSA-N.