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Chemical structure of DM4-SPDP

GC38460

DM4-SPDP

Also known as [(16Z,18Z)-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] 2-[[4-[[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]-4-methylpentanoyl]-methylamino]propanoate

DM4-SPDP is a drug-linker conjugate composed of a potent antitubulin agent DM4 and a linker SMCC to make antibody drug conjugate· SPDP is a short-chain crosslinker for amine-to-sulfhydryl conjugation via NHS-ester and pyridyldithiol reactive groups that form cleavable (reducible) disulfide bonds with cysteine sulfhydryls

ChemicalCAS2245698-48-8MW981.57FormulaC45H61ClN4O14S2
CAS number
2245698-48-8
Molecular weight
981.57
Formula
C45H61ClN4O14S2
Solubility
Soluble in DMSO
InChIKey
VCCMUJGGUQZUOZ-LWQKUVMOSA-N
Catalogue number
GC38460
Brand
GLPBIO
Computed properties PubChem CID 167996072 · XLogP 2.5 · TPSA 271 Ų · H-bond donors 2
XLogP
2.5
TPSA
271 Ų
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
16
Heavy atoms
66

SMILES CC1C2CC(C(/C=C\C=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(=O)ON5C(=O)CCC5=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 167996072), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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