Entacapone, Tocris Bioscience™

Description

Potent COMT inhibitor; blocks α-synuclein aggregation

Potent catechol O-methyltransferase (COMT) inhibitor (IC50 values are 14.3, 20.1 and 73.3 nM for rat liver soluble COMT, total COMT and membrane-bound COMT respectively). Increases bioavailability of levodopa when given as an adjunct therapy for Parkinson's disease. Inhibits α-synuclein aggregation in an in vitro assay; blocks α-synuclein-induced cell death in PC-12 cells.

Specifications

Chemical Identifiers

• CAS: 130929-57-6
• Molecular Formula: C14H15N3O5
• Molecular Weight (g/mol): 305.29
• MDL Number: MFCD00866580
• InChI Key: JRURYQJSLYLRLN-BJMVGYQFSA-N
• Synonym: entacapone, comtan, comtess, entacaponum, entacapona, entacaponum inn-latin, entacapona inn-spanish, entacom, entacapone usan:inn, 2-cyano-n,n-diethyl-3-3,4-dihydroxy-5-nitrophenyl propenamide
• PubChem CID: 5281081
• ChEBI: CHEBI:4798
• IUPAC Name: (2E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
• SMILES: CCN(CC)C(=O)C(=C\C1=CC(O)=C(O)C(=C1)[N+]([O-])=O)\C#N

• Quantity: 50 mg
• Formula Weight: 305.29
• Percent Purity: >99%
• Chemical Name or Material: Entacapone