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Chemical structure of DC0-NH2

GC38538

DC0-NH2

Also known as 5-amino-N-[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide

DC0-NH2 is an effector moiety for ADC and a simplified analog of DC1 with better stability· DC0-NH2 is about 1000-fold more cytotoxic than commonly used anticancer drugs (ex· Doxorubicin)· DC0-NH2 can bind to the minor groove of DNA, followed by alkylation of adenine residues by its propabenzindole (CBI) component

ChemicalCAS615538-51-7MW550.01FormulaC31H24ClN5O3
CAS number
615538-51-7
Molecular weight
550.01
Formula
C31H24ClN5O3
Solubility
Soluble in DMSO
InChIKey
PANFWPQOVGEWSD-GOSISDBHSA-N
Catalogue number
GC38538
Brand
GLPBIO
Computed properties PubChem CID 12082753 · XLogP 5.3 · TPSA 127 Ų · H-bond donors 5
XLogP
5.3
TPSA
127 Ų
H-bond donors
5
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
40

SMILES C1[C@H](C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)N)C=C(C7=CC=CC=C72)O)CCl

Computed descriptors from PubChem (CID 12082753), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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