Home Metabolism COMT inhibitor - Transferase inhibitor - Histone Methyltransferase inhibitor Tolcapone

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Tolcapone COMT inhibitor

Cat.No.S4021

Tolcapone (Ro 40-7592) is a selective, potent and reversible of catechol-O-methyl transferase (COMT) inhibitor with Ki of 30 nM.
Tolcapone COMT inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 273.24

Jump to Mechanism of Action Solubility Chemical Information, Storage & Stability

Quality Control

Batch: S402101 DMSO]55 mg/mL]false]Ethanol]55 mg/mL]false]Water]Insoluble]false Purity: 99.91%
99.91

Chemical Information, Storage & Stability

Molecular Weight 273.24 Formula

 

C14H11NO5
 Storage (From the date of receipt)
CAS No. 134308-13-7 Download SDF Storage of Stock Solutions

Synonyms Ro 40-7592 Smiles CC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-]

Solubility

In vitro
Batch:

DMSO : 55 mg/mL (201.28 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 55 mg/mL

Water : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
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Mechanism of Action

Targets/IC50/Ki
COMT [4]
30 nM(Ki)
In vitro
Tolcapone functions as a selective peripheral and central COMT inhibitor, exerting no effect on adrenergic, serotonergic, or cholinergic receptors or other enzymes involved in synthesis or catabolism of catecholamines. [1] This compound produces a concentration-dependent decrease in COMT activity in liver homogenates of developing (3 days-old) and adult (60 days-old) rats with Vmax, Km and IC50 of 5.3 nM/mg/h, 3.3 μM, 41 nM, and 2.9 nM/mg/h, 13.1 μM, 720 nM, respectively. It also produces a concentration-dependent decrease in COMT activity in kidney of developing (3 days-old) and adult (60 days-old) rats with Vmax, Km and IC50 of 2.6 nM/mg/h, 2.7 μM, 8 nM, and 3.5 nM/mg/h, 24 μM, 177 nM, respectively. [2]
In vivo
Tolcapone orally administrated is able to crosses the blood-brain barrier. Acute administration of this compound increases basal levels of L-DOPA and dihydroxyphenylacetic acid (DOPAC) and decreases basal homovanillic acid (HVA) levels, but does not affect basal dopamine levels. [3] This compound (30 mg/kg p.o.) combined with benserazide (15 mg/kg p.o.) and a low dose of L-dopa (10 mg/kg p.o.) almost completely blockes (for about 6 h) the formation of 3-O-methyldopa (3-OMD) in brain and plasma, producing a long-lasting increase of L-DOPA in plasma and a parallel marked increase of L-DOPA and dopamine in the brain. [4] It displays behavioural and neurochemical benefits on animals. This chemical (30 mg/kg p.o.) increases the effect of L-DOPA (plus benserazide) on locomotor activity, reserpine-induced hypothermia, and catalepsy induced by pimozide, haloperidol and fluphenazine. It also increases locomotor hyperactivity induced by amphetamine or nomifensine, as well as stereotypy induced by amphetamine (but not apomorphine). [5]
References
  • [4] https://pubmed.ncbi.nlm.nih.gov/2089102/
  • [5] https://pubmed.ncbi.nlm.nih.gov/1977408/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT03591757 Completed
Transthyretin Amyloidosis|Amyloidosis Leptomeningeal Transthyretin-Related
Boston University|Corino Therapeutics Inc.
 October 30 2018 Early Phase 1
NCT02630043 Terminated
Neuroblastoma
Giselle Sholler|Milton S. Hershey Medical Center
 December 2015 Phase 1
NCT02929485 Withdrawn
Addiction
University of California Berkeley|University of California San Francisco
 July 2013 Phase 4
NCT02080715 Completed
Healthy
University of Zurich
 June 2013 Phase 1
NCT00604591 Completed
Frontotemporal Lobar Degeneration
Columbia University|National Institute of Neurological Disorders and Stroke (NINDS)
 July 2011 Phase 2

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