Name: Entacapone sodium salt
Rating: 5 (10 reviews)

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HIT ID:HIT214315059
Cas No:1047659-02-8
常用名:Entacapone sodium salt
别名:恩他卡朋钠盐
IUPAC:(2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide sodium
IUPAC:(2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide sodium
InChI key:LQNLRUADRXLJCV-OAZHBLANSA-N

分子式:C14H15N3NaO5
分子量:328.28
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na].CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)N(=O)=O)\C#N
SMILES:[Na].CCN(CC)C(=O)C(=C\c1cc(O)c(O)c(c1)N(=O)=O)\C#N

Entacapone sodium salt inhibits catechol-O-methyltransferase(COMT) with similar IC50 in different tissues including live, duodenum, kidney and lung, but entacapone is more active than tolcapone in those tissues. Entacapone (< 100 μM) is a potent inhibitor of α-syn and β-amyloid (Aβ) oligomerization and fibrillogenesis, and also protects against extracellular toxicity induced by the aggregation of both proteins in PC12 cells.Entacapone sodium salt is a specific, potent, peripherally acting catechol-O-methyltransferase (COMT) inhibitor with IC50 of 151 nM for PD treatment.

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