Tolcapone
Tolcapone
CAS: 134308-13-7
Molecular Formula: C14H11NO5
Tolcapone - Names and Identifiers
| Name | Tolcapone |
| Synonyms | ro40-7592 TALCAPONE Tolcapone TOLCAPONE (3,4-Dihydroxy-5-nitrophenyl) 3,4-dihydroxy-4'-methyl-5-nitrobenzophenone (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanon 3,4-DIHYDROXYL-5-NITROBENZYL,4'-METHYLBENZENYL KETONE (3,4-Dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)methanone (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)-methanon (3,4-dihydroxy-5-nitrophényl)(4-méthylphényl)méthanone methanone, (3,4-dihydroxy-5-nitrophenyl)(4-methylphenyl)- |
| CAS | 134308-13-7 |
| InChI | InChI=1/C14H11NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3 |
Tolcapone - Physico-chemical Properties
| Molecular Formula | C14H11NO5 |
| Molar Mass | 273.24 |
| Density | 1.419±0.06 g/cm3(Predicted) |
| Melting Point | 126-1280C |
| Boling Point | 485.6±45.0 °C(Predicted) |
| Flash Point | 205.8°C |
| Solubility | Soluble in water (partly), DMSO (55 mg/ml at 25 °C) |
| Vapor Presure | 4.72E-10mmHg at 25°C |
| Appearance | powder |
| Color | yellow |
| pKa | 4.78±0.38(Predicted) |
| Storage Condition | 2-8°C |
| Stability | Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months. |
| Refractive Index | 1.661 |
| MDL | MFCD00866569 |
| Use | An inhibitor of peripheral and central catechol-O-methyltransferase. |
| In vitro study | Tolcapone acts as a selective peripheral and central COMT inhibitor and has no effect on adrenergic, serotonin, or cholinergic receptors, or other enzymes involved in catecholamine synthesis or metabolism. In rats with liver homogenate development (3 days) and adult (60 days), Tolcapone produced a concentration-dependent increase in COMT activity, V max ,K m and IC50 were 5.3 nM/mg/h,3.3 μm, 41 nM, and 2.9 nM/mg/h,13.1 μm, 720 nM, respectively. In rats with kidney development (3 days) and adult (60 days), Tolcapone caused a concentration-dependent increase in COMT activity, V max ,K m and IC50 were 2.6 nM/mg/h,2.7 μm, 8 nM, and 3.5 nM/mg/h,24 μm, 177 nM, respectively. |
| In vivo study | Oral administration of Tolcapone is able to cross the blood-brain barrier. Acute administration of Tolcapone increased basal levels of L-DOPA and dihydroxyphenylacetic acid (DOPAC) and also decreased basal homovanillic acid (HVA) levels, but did not affect basal dopamine levels. Tolcapone (30 mg/kg, oral) combined with benserazide (15 mg/kg, oral) and low-dose L-dopa (10 mg/kg, oral) the formation of 3-o-methyldopa (3-OMD) in the brain and plasma was almost completely blocked, resulting in a sustained increase in L-DOPA in the plasma, while L-DOPA and dopamine produced similarly significant increases in the brain. Tolcapone showed behavioral and neurochemical benefits in animals. Tolcapone (30 mg/kg, oral) increased the effects of L-DOPA (and benserazide) on spontaneous activity, reserpine-induced hypothermia, and pimazine, effect of haloperidol and fluphenazine-induced catalepsy. Tolcapone also increased amphetamine-or nomifenin-induced hyperkinesia, and amphetamine (not apomorphine)-induced stereotyped behavior. |
Tolcapone - Risk and Safety
| Hazard Symbols | N - Dangerous for the environment |
| Risk Codes | 50 - Very Toxic to aquatic organisms |
| Safety Description | 61 - Avoid release to the environment. Refer to special instructions / safety data sheets. |
| UN IDs | UN 3077 9 / PGIII |
| RTECS | PC4952500 |
| HS Code | 2914710000 |
Tolcapone - Introduction
Tolcapone is an effective and selective reversible nitrophenol catechol-O-methyltransferase (COMT) inhibitor with a Ki of 30nM.
Last Update：2022-10-16 17:13:29
Tolcapone - Reference Information
| product description | tokapone is a catechol oxygen methyltransferase inhibitor, which can be used for the adjuvant treatment of primary Parkinson's disease receiving the combination of levodopa and carbidopa. |
| Product use | Tokapone is a selective catechol oxygen methyltransferase (COMT) inhibitor that works both inside and outside the brain. Outside the brain, it can block the conversion of levodopa into 3-O-methyldopa, which increases the bioavailability of levodopa without increasing the blood concentration of the drug, making more levodopa The menstrual blood-cerebrospinal fluid barrier enters the center, and then turns into dopamine to improve the "depletion" phenomenon; at the same time, it does not increase the adverse reaction of the peak dose. |
| Biological activity | Tolcapone (Ro 40-7592) is an effective and selective reversible nitrophenol catechol-O-methyltransferase (COMT) inhibitor, Ki is 30nM. |
| Target | Value |
| COMT () | 30 nM(Ki) |
Last Update：2024-04-09 20:45:29
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Product Name: Tolcapone Visit Supplier Webpage Request for quotationCAS: 134308-13-7
Tel: 18301782025
Email: 3008007409@qq.com
Mobile: 18021002903
QQ: 3008007409
Wechat: 18301782025
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