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Chemical structure of DM4

GC32810

DM4

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-[methyl-(4-methyl-4-sulfanylpentanoyl)amino]propanoate

DM4 is is an antitubulin agent that inhibit cell division· DM4 can be used in the preparation of antibody drug conjugate

ChemicalCAS796073-69-3MW780.37FormulaC38H54ClN3O10S
CAS number
796073-69-3
Molecular weight
780.37
Formula
C38H54ClN3O10S
Solubility
DMSO ： 100 mg/mL (128·14 mM)
InChIKey
JFCFGYGEYRIEBE-YVLHJLIDSA-N
Catalogue number
GC32810
Brand
GLPBIO
Computed properties PubChem CID 11686439 · XLogP 3.2 · TPSA 157 Ų · H-bond donors 3
XLogP
3.2
TPSA
157 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
53

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)S)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 11686439), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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