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Chemical structure of SPDB-DM4

GC32982

SPDB-DM4

Also known as (2,5-dioxopyrrolidin-1-yl) 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]butanoate

SPDB-DM4 is a drug-linker conjugate for ADC by using the maytansinebased payload (DM4, a tubulin inhibitor) via a SPDB linker, exhibiting potent anti-tumor activity

ChemicalCAS1626359-62-3MW995.59FormulaC46H63ClN4O14S2
CAS number
1626359-62-3
Molecular weight
995.59
Formula
C46H63ClN4O14S2
Solubility
Soluble in DMSO
InChIKey
LAVNQRWLLQGEIB-CUSRITNRSA-N
Catalogue number
GC32982
Brand
GLPBIO
Computed properties PubChem CID 137699229 · XLogP 2.9 · TPSA 271 Ų · H-bond donors 2
XLogP
2.9
TPSA
271 Ų
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
17
Heavy atoms
67

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)SSCCCC(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 137699229), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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