3-O-Methyl Tolcapone

Names

[ Name ]:
3-O-Methyl Tolcapone

[Synonym ]:
1-(4-Hydroxy-3-methoxy-5-nitrophenyl)-3-(p-tolyl)propan-2-one
(4-hydroxy-3-methoxy-5-nitrophenyl)-(4-methylphenyl)methanone

Biological Activity

[Description]:

3-O-Methyltolcapone (Ro 40-7591) is a metabolite of Tolcapone. Tolcapone is an orally active, reversible, selective and potent COMT inhibitor. Tolcapone crosses the blood-brain barrier, and can be used for treatment of Parkinson's disease[1][2].

[Related Catalog]:

Signaling Pathways >> Neuronal Signaling >> COMT

Research Areas >> Neurological Disease

Signaling Pathways >> Metabolic Enzyme/Protease >> COMT

[Target]

COMT[1][2]

[References]

[1]. Jorga K, et al. Metabolism and excretion of tolcapone, a novel inhibitor of catechol-O-methyltransferase. Br J Clin Pharmacol. 1999 Oct;48(4):513-20.

[2]. Ceravolo R, et al. 18F-dopa PET evidence that tolcapone acts as a central COMT inhibitor in Parkinson's disease. Synapse. 2002 Mar 1;43(3):201-7.

Chemical & Physical Properties

[ Density]:
1.317g/cm3

[ Boiling Point ]:
474.8ºC at 760mmHg

[ Molecular Formula ]:
C₁₅H₁₃NO₅

[ Molecular Weight ]:
315.32100

[ Flash Point ]:
240.9ºC

[ Exact Mass ]:
315.11100

[ PSA ]:
92.35000

[ LogP ]:
3.49490

[ Vapour Pressure ]:
1.23E-09mmHg at 25°C

[ Index of Refraction ]:
1.613

[ Storage condition ]:
2-8°C

Safety Information

[ Hazard Codes ]:
Xi

[ RIDADR ]:
NONH for all modes of transport

[ HS Code ]:
2914700090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2914700090

[ Summary ]:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%