Description
DM3-SMe can be readily conjugate to the SH group of an antibody to form antibody-drug conjugate (ADC). .
Synonyms
N2'-deacetyl-N2'-[4-(R,S)-(methyldithio)-1-oxopentyl]maytansine;
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-(methyldisulfanyl)pentanoyl]amino]propanoate
Canonical SMILES
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCC(C)SSC)C)C)OC)(NC(=O)O2)O
InChI
InChI=1S/C38H54ClN3O10S2/c1-21-12-11-13-29(49-9)38(47)20-28(50-36(46)40-38)23(3)34-37(5,52-34)30(51-35(45)24(4)41(6)31(43)15-14-22(2)54-53-10)19-32(44)42(7)26-17-25(16-21)18-27(48-8)33(26)39/h11-13,17-18,22-24,28-30,34,47H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22?,23-,24+,28+,29-,30+,34+,37+,38+/m1/s1
InChIKey
YCOIJPSIDUQDNN-UQJMXLCASA-N
Shipping
Room temperature
