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Chemical structure of DM1-Smcc

GC32725

DM1-Smcc

Also listed as SMCC-DM1 (DM1-SMCC)

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

ChemicalCAS1228105-51-8MW1072.61FormulaC51H66ClN5O16S
CAS number
1228105-51-8
Molecular weight
1072.61
Formula
C51H66ClN5O16S
Solubility
DMSO ： ≥ 100 mg/mL (93·23 mM)
InChIKey
IADUWZMNTKHTIN-MLSWMBHTSA-N
Catalogue number
GC32725
Brand
GLPBIO
Computed properties PubChem CID 92131096 · XLogP 2.1 · TPSA 283 Ų · H-bond donors 2
XLogP
2.1
TPSA
283 Ų
H-bond donors
2
H-bond acceptors
17
Rotatable bonds
15
Heavy atoms
74

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)CCSC5CC(=O)N(C5=O)CC6CCC(CC6)C(=O)ON7C(=O)CCC7=O)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 92131096), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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