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Chemical structure of 17-DMAG

GC41955

17-DMAG

Also known as [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-[2-(dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

17-DMAG (17-DMAG) is a potent inhibitor of Hsp90, binding to Hsp90 with an EC50 of 62 ± 29 nM

ChemicalCAS467214-20-6MW616.8FormulaC32H48N4O8
CAS number
467214-20-6
Molecular weight
616.8
Formula
C32H48N4O8
Solubility
DMF： 20 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 13 mg/ml,Ethanol： 2 mg/ml
InChIKey
KUFRQPKVAWMTJO-LMZWQJSESA-N
Catalogue number
GC41955
Brand
GLPBIO
Computed properties PubChem CID 5288674 · XLogP 2 · TPSA 170 Ų · H-bond donors 4
XLogP
2
TPSA
170 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
8
Heavy atoms
44

SMILES C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC

Computed descriptors from PubChem (CID 5288674), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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