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Chemical structure of Duocarmycin SA

GC35912

Duocarmycin SA

Also known as methyl (1R,12S)-7-oxo-10-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate

Duocarmycin SA is a potent antitumor antibiotic with an IC50 of 10 pM· Duocarmycin SA is an extremely potent cytotoxic agent capable of inducing a sequence-selective alkylation of duplex DNA· Duocarmycin SA demonstrates synergistic cytotoxicity against glioblastoma multiforme (GBM) cells treated with proton radiation in vitro

ChemicalCAS130288-24-3MW477.47FormulaC25H23N3O7
CAS number
130288-24-3
Molecular weight
477.47
Formula
C25H23N3O7
Solubility
Soluble in DMSO
InChIKey
VQNATVDKACXKTF-XELLLNAOSA-N
Catalogue number
GC35912
Brand
GLPBIO
Computed properties PubChem CID 115369 · XLogP 2.6 · TPSA 123 Ų · H-bond donors 2
XLogP
2.6
TPSA
123 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
35

SMILES COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3C[C@H]4C[C@@]45C3=CC(=O)C6=C5C=C(N6)C(=O)OC)OC)OC

Computed descriptors from PubChem (CID 115369), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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