Entacapone | B1190

Entacapone is a potent catechol O-methyl transferase (COMT) inhibitor with IC₅₀ values of 14.3, 20.1 and 73.3 nM for rat liver soluble COMT, total COMT and membrane-bound COMT, respectively. Entacapone inhibits aggregation of α-synuclein in an in vitro assay and shown to block α-synuclein induced cell death in PC-12 cells. In vivo studies have shown that it increases the bioavailability of levodopa when given as an adjunct therapy for Parkinson’s disease.

Entacapone is a potent catechol O-methyl transferase (COMT) inhibitor with IC₅₀ values of 14.3, 20.1 and 73.3 nM for rat liver soluble COMT, total COMT and membrane-bound COMT, respectively. Entacapone inhibits aggregation of α-synuclein in an in vitro assay and shown to block α-synuclein induced cell death in PC-12 cells. In vivo studies have shown that it increases the bioavailability of levodopa when given as an adjunct therapy for Parkinson’s disease.

B1190 | Entacapone DataSheet

Alternate Name/Synonyms: (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide

Appearance: Yellow Solid

Formulation: N/A

CAS Number: 130929-57-6

Structure Available?: Yes

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₁₄H₁₅N₃O₅

Molecular Weight: 305.29

Cell-Permeable?: Yes

Purity: ≥98% by HPLC

Solubilities: DMSO (>30 mg/ml)

Handling: Protect from air and light

Country of Origin: USA

Tag Line: A potent catechol O-methyl transferase (COMT) inhibitor

MDL Number: MFCD00866580

PubChem CID: 5281081

SMILES: CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

InChi: InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+

InChi Key: JRURYQJSLYLRLN-BJMVGYQFSA-N