Description
Sulfo-PDBA-DM4 is a drug-linker conjugate composed of a potent a tubulin inhibitor DM4 and a linker Sulfo-PDBA to make antibody drug conjugate (ADC). Sulfo-PDBA is a gluthatione cleavable linker.
Synonyms
Soravtansine; DM4-Sulfo-TBA; 4-[[5-[[(2S)-1-[[(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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-2-sulfobutanoic acid
IUPAC Name
4-[[5-[[(2S)-1-[[(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]oxy]-1-oxopropan-2-yl]-methylamino]-2-methyl-5-oxopentan-2-yl]disulfanyl]-2-sulfobutanoic acid
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)(C)SSCCC(C(=O)O)S(=O)(=O)O)C)C)OC)(NC(=O)O2)O
InChI
InChI=1S/C42H60ClN3O15S3/c1-23-12-11-13-31(58-10)42(53)22-29(59-39(52)44-42)24(2)36-41(6,61-36)32(21-34(48)46(8)27-19-26(18-23)20-28(57-9)35(27)43)60-38(51)25(3)45(7)33(47)14-16-40(4,5)63-62-17-15-30(37(49)50)64(54,55)56/h11-13,19-20,24-25,29-32,36,53H,14-18,21-22H2,1-10H3,(H,44,52)(H,49,50)(H,54,55,56)/b13-11+,23-12+/t24-,25+,29+,30?,31-,32+,36+,41+,42+/m1/s1
InChIKey
GQSPYHXXAXFCRB-DSIKUUPMSA-N
Shipping
Room temperature