Structural Formula Vector Image
Title: Entacapone
CAS Registry Number: 130929-57-6
CAS Name: (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
Additional Names: (E)-a-cyano-N,N-diethyl-3,4-dihydroxy-5-nitrocinnamamide; (E)-2-cyano-N,N-diethyl-3-(3,4-dihydroxy-5-nitrophenyl)acrylamide
Manufacturers' Codes: OR-611
Trademarks: Comtan (Orion); Comtess (Orion)
Molecular Formula: C14H15N3O5
Molecular Weight: 305.29
Percent Composition: C 55.08%, H 4.95%, N 13.76%, O 26.20%
Literature References: Peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Prepn (stereochemistry unspecified): R. J. Bäckström et al., DE 3740383; eidem, US 5446194 (1988, 1995 both to Orion). Prepn of (E)-isomer: A. K. Pippuri et al., EP 426468; eidem, US 5135950 (1991, 1992 both to Orion). Pharmacology: E. Nissinen et al., Arch. Pharmacol. 346, 262 (1992). LC determn in plasma and urine: M. Karlsson, T. Wikberg, J. Pharm. Biomed. Anal. 10, 593 (1992). Identification of metabolites: T. Wikberg et al., Eur. J. Drug Metab. Pharmacokinet. 18, 359 (1993). Clinical pharmacokinetics: T. Keränen et al., Eur. J. Clin. Pharmacol. 46, 151 (1994). Clinical effect on levodopa bioavailability in Parkinson's disease: H. M. Routtinen, U. K. Rinne, J. Neurol. Neurosurg. Psychiatry 60, 36 (1996).
Properties: Crystals from acetic acid + HCl, mp 162-163°. pKa ~4.5.
Melting point: mp 162-163°
pKa: pKa ~4.5
Therap-Cat: Antiparkinsonian.
Keywords: Antiparkinsonian; COMT Inhibitor.

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