API reference
Entacapone
- CAS number
- 130929-57-6
- Molecular formula
- C14H15N3O5
- Molecular weight
- 305.29 g/mol
About this molecule
Entacapone is a nitrocatechol compound with anti-parkinsonian property. Entacapone is a selective and reversible inhibitor of catechol-O-methyltransferase (COMT), which catalyzes the transfer of the methyl group of S-adenosyl-L-methionine to the phenolic group of substrates that contain a catechol structure including dihydroxyphenylalanine (DOPA), catecholamines (dopamine, norepinephrine, and epinephrine) and their hydroxylated metabolites. When administered in conjunction with dopaminergic agents such as L-DOPA, entacapone prevents the metabolism and inactivation of adjunct drugs, thereby increasing the bioavailability of these compounds by facilitating their passage across the blood-brain barrier.
Source: NCI Thesaurus (NCIt), via PubChem.
Identifiers
- IUPAC name
- (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
- InChIKey
- JRURYQJSLYLRLN-BJMVGYQFSA-N
- SMILES
- CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
- Other CAS numbers recorded
- 116314-67-1 · 686349-59-7
- PubChem CID
- 5281081
Also known as
Comtan · Comtess · Entacapona · Entacaponum · OR-611 · (E)-Entacapone · Entacapone teva · Entacapone orion
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