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Chemical structure of Duocarmycin

GC35907

Duocarmycin

Also known as [(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone

Duocarmycin, a DNA minor-groove alkylator, is an antibody drug conjugates (ADCs) toxin· Duocarmycin is based on its characteristic curved indole structure and a spirocyclopropylcyclohexadienone electrophile to act anticancer activity

ChemicalCAS1116745-06-2MW463.96FormulaC26H26ClN3O3
CAS number
1116745-06-2
Molecular weight
463.96
Formula
C26H26ClN3O3
Solubility
Soluble in DMSO
InChIKey
JRGWJJXUVWWGDA-QGZVFWFLSA-N
Catalogue number
GC35907
Brand
GLPBIO
Computed properties PubChem CID 56675231 · XLogP 4.7 · TPSA 68.8 Ų · H-bond donors 2
XLogP
4.7
TPSA
68.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
33

SMILES CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3C[C@H](C4=C3C=C(C5=CC=CC=C54)O)CCl

Computed descriptors from PubChem (CID 56675231), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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