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Chemical structure of MC-DM1

GC39813

MC-DM1

Also known as [(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-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]propanoate

MC-DM1 is a drug-linker conjugate composed of a potent microtubule-disrupting agent DM1 and a linker MC to make antibody drug conjugate (ADC)

ChemicalCAS1375089-56-7MW843.36FormulaC42H55ClN4O12
CAS number
1375089-56-7
Molecular weight
843.36
Formula
C42H55ClN4O12
Solubility
Soluble in DMSO
InChIKey
UGBPANNIQRLRII-RJPAQOSPSA-N
Catalogue number
GC39813
Brand
GLPBIO
Computed properties PubChem CID 76072941 · XLogP 2.3 · TPSA 194 Ų · H-bond donors 2
XLogP
2.3
TPSA
194 Ų
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
12
Heavy atoms
59

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)CCCCCN5C(=O)C=CC5=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 76072941), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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