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Chemical structure of EB 47 (hydrochloride)

GC91497

EB 47 (hydrochloride)

Also known as 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carbonyl]piperazin-1-yl]-N-(1-oxo-2,3-dihydroisoindol-4-yl)acetamide;dihydrochloride

EB 47 is an inhibitor of poly(ADP-ribose) polymerase 1 (PARP1; IC50 = 45 nM) and a dual site inhibitor of tankyrase 2 (TNKS2; IC50 = 45 nM)

ChemicalCAS1190332-25-2MW610.5FormulaC24H27N9O6•2HCl
CAS number
1190332-25-2
Molecular weight
610.5
Formula
C24H27N9O6•2HCl
Solubility
DMSO： 50 mg/ml, sonicated
InChIKey
VVMQSDIMNDTMII-MYXHFVDASA-N
Catalogue number
GC91497
Brand
GLPBIO
Computed properties PubChem CID 9986189 · TPSA 201 Ų · H-bond donors 7 · H-bond acceptors 11
TPSA
201 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
41

SMILES C1CN(CCN1CC(=O)NC2=CC=CC3=C2CNC3=O)C(=O)[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O.Cl.Cl

Computed descriptors from PubChem (CID 9986189), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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