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Chemical structure of sulfo-SPDB-DM4

GC33040

sulfo-SPDB-DM4

Also known as 4-[[5-[[(2S)-1-[[(1S,2R,3S,5S,6S,16Z,18Z,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]-1-(2,5-dioxopyrrolidin-1-yl)oxy-1-oxobutane-2-sulfonic acid

sulfo-SPDB-DM4 is a drug-linker conjugate for ADC by using the maytansinebased payload (DM4, an antitubulin agent) via the sulfo-SPDB linker

ChemicalCAS1626359-59-8MW1075.66FormulaC46H63ClN4O17S3
CAS number
1626359-59-8
Molecular weight
1075.66
Formula
C46H63ClN4O17S3
Solubility
Soluble in DMSO
InChIKey
ACJLJPQSHWOFQD-KRXLDPNFSA-N
Catalogue number
GC33040
Brand
GLPBIO
Computed properties PubChem CID 146048619 · XLogP 1.9 · TPSA 334 Ų · H-bond donors 3
XLogP
1.9
TPSA
334 Ų
H-bond donors
3
H-bond acceptors
19
Rotatable bonds
18
Heavy atoms
71

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)SSCCC(C(=O)ON5C(=O)CCC5=O)S(=O)(=O)O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 146048619), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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