DM4-SMe

• CAT Number: I017765
• CAS Number: 796073-68-2
• Molecular Formula: C₃₉H₅₆ClN₃O₁₀S₂
• Molecular Weight: 826.46
• Purity: ≥95%
• IUPAC Name: [(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-[4-methyl-4-(methyldisulfanyl)pentanoyl]amino]propanoate
• InChI: InChI=1S/C39H56ClN3O10S2/c1-22-13-12-14-29(50-10)39(48)21-28(51-36(47)41-39)23(2)34-38(6,53-34)30(20-32(45)43(8)26-18-25(17-22)19-27(49-9)33(26)40)52-35(46)24(3)42(7)31(44)15-16-37(4,5)55-54-11/h12-14,18-19,23-24,28-30,34,48H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12+,22-13+/t23-,24+,28+,29-,30+,34+,38+,39+/m1/s1
• InChIKey: LTLNAIFGVAUBEJ-SIDGEOBYSA-N
• SMILES: C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)C)C)OC)(NC(=O)O2)O

DM4-SMe (Cat.No:I017765) is a potent cytotoxic compound used in antibody-drug conjugates (ADCs) for targeted cancer therapy. It belongs to the maytansinoid family and acts by disrupting microtubule assembly, resulting in cell cycle arrest and apoptosis. DM4-SMe shows promise in treating various cancers and is being studied extensively for its therapeutic potential.

Reference

[1]. Widdison W, et al. Metabolites of antibody-maytansinoid conjugates: characteristics and in vitro potencies. Mol Pharm. 2015 Jun 1;12(6):1762-73.[2]. Chen H, et al. Tubulin Inhibitor-Based Antibody-Drug Conjugates for Cancer Therapy. Molecules. 2017 Aug 1;22(8).