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Chemical structure of AVE 0118 hydrochloride

GB40108

AVE 0118 hydrochloride

Also known as 2-[2-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N-(2-pyridin-3-ylethyl)benzamide;hydrochloride

Potassium channel blocker· AVE0118 caused concentration-dependent inhibition of Kv1·5 (IKur), Kv4·3 (Ito), Kir3·4 (IKAch), and IKr currents (IC50 values 6·2 μM, 3·4 μM, 4·5 μM, and 10 μM resp·)· A potent and atrium selective antiarrhythmic compound with no apparent effect on ventricular repolarization· Noteworthy, the atrial selective and dose-dependent prolongation of atrial refractoriness (ERP) by AVE 0118 has been claimed to be an inhibitory effect of sodium channel activity in an atrial-selective manner, and may therefor contribute to anti-AF properties of AVE0118

ChemicalCAS2108821-80-1MW516.03FormulaC30H29N3O3·HCl
CAS number
2108821-80-1
Molecular weight
516.03
Formula
C30H29N3O3·HCl
InChIKey
VLHHQGXIOINJIC-UHFFFAOYSA-N
Catalogue number
GB40108
Brand
GLPBIO
Computed properties PubChem CID 91826504 · TPSA 80.3 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
80.3 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
37

SMILES COC1=CC=C(C=C1)CC(=O)NCC2=CC=CC=C2C3=CC=CC=C3C(=O)NCCC4=CN=CC=C4.Cl

Computed descriptors from PubChem (CID 91826504), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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