Cat. No.: HY-17406

Tolcapone

(Synonyms: Ro 40-7592)

4 Cited Publications

Customer Review

Based on 4 publication(s) in Google Scholar

Tolcapone (Ro 40-7592) is a selective, potent and orally active COMT inhibitor with an IC₅₀of 773 nM. Tolcapone can inhibits α-syn and Aβ₄₂ oligomerization and fibrillogenesis. Tolcapone can cause oxidative stress and induce cancer cells apoptosis and ROS production. Tolcapone can be used for the researches of cancer and neurological disease, such as Parkinson disease and neuroblastoma.

For research use only. We do not sell to patients.

Purity: 99.86%
CAS No.: 134308-13-7
Formula: C₁₄H₁₁NO₅
Molecular Weight:273.24

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 1 year , -20°C, 6 months

Tolcapone Chemical Structure

CAS No.: 134308-13-7

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Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
- Clinical Trial
Chemical Information
Publications (4)
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target

COMT^[1]
α-syn and Aβ42 oligomerization, fibrillogenesis^[2]

Cellular Effect

Cell Line	Type	Value	Description	References
BHK-21	CC₅₀	29.2 μM Compound: 22	Cytotoxicity against golden hamster BHK-21 cells incubated for 24 hrs by CCK-8 assay Cytotoxicity against golden hamster BHK-21 cells incubated for 24 hrs by CCK-8 assay	[PMID: 34458734]
HEK293	IC₅₀	<1 nM Compound: 1	Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay Inhibition of human MB-COMT expressed in HEK293 cells using dopamine as substrate and SAM as cofactor preincubated for 30 mins followed by substrate addition and measured after 40 mins by HTRF assay	[PMID: 32038769]
HeLa	CC₅₀	>25 μM Compound: Tolcapone	Cytotoxicity against human HeLa cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Blue assay Cytotoxicity against human HeLa cells assessed as reduction in cell viability incubated for 24 hrs by CellTiter-Blue assay	[PMID: 33851839]
HeLa	IC₅₀	50 μM Compound: Tolcapone	Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay Inhibition of human KLF10 expressed in human HeLa cells assessed as reduction in transcriptional activity after 24 hrs by CACCC-responsive promoter driven TK-luciferase reporter gene assay	[PMID: 25581017]
HT-29	EC₅₀	7.44 μM Compound: Tolcapone	Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis Agonist activity at GPR35 in human HT-29 cells assessed as induction of whole cell dynamic mass redistribution after 50 mins by resonant waveguide grating biosensor analysis	10.1039/C2MD20210G
Sf21	IC₅₀	119.6 μM Compound: Tolcapone	Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake	[PMID: 21965623]
Sf21	IC₅₀	47.2 μM Compound: Tolcapone	Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake	[PMID: 21965623]
U2OS	EC₅₀	49.2 μM Compound: Tolcapone	Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay Agonist activity at GPR35 in human U2OS cells assessed as induction of beta-arrestin translocation after 5 hrs by beta-lactamase reporter gene assay	10.1039/C2MD20210G

In Vitro

Tolcapone (10-100 μM, 72 h) inhibits α-synuclein (α-syn) fibrillization^[2].
Tolcapone (10-50 μM, 3 h) inhibits α-syn seed-induced polymerization^[2].
Tolcapone (5-20 μM, 48 h) inhibits Aβ₄₂ fibrillization^[2].
Tolcapone (20 μM, 3 h) inhibits Aβ42 seed-induced polymerization^[2].
Tolcapone (5-40 μM, 24 h) protects PC12 cells against α-syn and Aβ42-induced toxicity^[2].
Tolcapone (1.5625-400 μM, 48 h) inhibits the viability of SMS-KCNR, SH-SY5Y, BE (2)-C, CHLA-90, MGT-015-08 and MGT9-102-08 neuroblastoma cells, with IC₅₀ values of 32.27-219.8 μM^[4].
Tolcapone (1.5625-400 μM, 48 h) inhibits neuroblastoma cell proliferation with GI₅₀ values of 34-130 μM^[4].
Tolcapone (25-400 μM, 48 h) induces apoptosis in neuroblastoma cells^[4].
Tolcapone (50-100 μM, 1-3 h) increases ROS levels in BE (2)-C and SMS-KCNR cells^[4].
Tolcapone (50-200 μM, 48 h) decreases the ATP per cell ratio in neuroblastoma cells^[4].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Apoptosis Analysis^[1]

Cell Line:

SMS-KCNR, SH-SY5Y, BE (2)-C, CHLA-90, MGT-015-08 and MGT9-102-08 neuroblastoma cells
Concentration:

25, 50, 75, 100, 200 and 400 μM
Incubation Time:

48 h
Result:

Increased dead cells by SYTOX Green staining and increased apoptotic cells by caspase-3/7 reagent.
Increased the expression of cleaved caspase-3 and cleaved PARP.
Decreased the expression of full-length caspase-3 and full-length PARP.

In Vivo

Tolcapone (125 mg/kg, i.g., once daily) inhibits tumor growth and prolongs survival in SMS-KCNR xenograft mice models^[4].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Animal Model:

SMS-KCNR xenograft mice models^[4]
Dosage:

125 mg/kg
Administration:

Orally gavage, once daily
Result:

Reduced tumor volume.
Prolonged survival of mice.
Showed no abnormal weight or behavior.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase A549
NCT01329991	Plexxikon\|		2011-05	PHASE1

Chemical Information

CAS No. 134308-13-7
Appearance Solid
Molecular Weight 273.24
Formula C₁₄H₁₁NO₅
Color Light yellow to yellow
SMILES

O=C(C1=CC(O)=C(O)C([N+]([O-])=O)=C1)C2=CC=C(C)C=C2
Synonyms

Ro 40-7592
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	1 year
	-20°C	6 months

Publications (4)

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Journal Impact Factor

Nat Microbiol

A drug-microbiome-drug interaction impacts co-prescribed medications for Parkinson's disease. [Abstract]

2026 May;11(5):1387-1409. PMID: 41942777
Cancer Res

Targeting Catechol-O-Methyltransferase Induces Mitochondrial Dysfunction and Enhances the Efficacy of Radiotherapy in Glioma. [Abstract]

2024 Nov 4;84(21):3640-3656. PMID: 39088832

Tolcapone purchased from MedChemExpress. Usage Cited in: Cancer Res. 2024 Nov 4;84(21):3640-3656. [Abstract]

The rate of NADH to NAD+ conversion rate measuring the mitochondrial complex I activity using mitochondrial extracts from U87 cells treated with DMSO, 50 μmol/L Entacapone, or 100 μmol/L Tolcapone for 24 hours.

Tolcapone purchased from MedChemExpress. Usage Cited in: Cancer Res. 2024 Nov 4;84(21):3640-3656. [Abstract]

Quantification of the percentage of macrophages that phagocytosed CT2A cells treated with DMSO, 50 µmol/L Entacapone, or 50 µmol/L Tolcapone. CT2A cells were pretreated with COMT inhibitors for 24 hours prior to coculturing with macrophages.
Biomater Res

Distinct Roles of Matrigel Enabled the Production of Expandable Hepatoblast and Polarized Hepatocyte Organoids from Human Embryonic Stem Cells under 3-Dimensional Suspension Conditions. [Abstract]

2025 Nov 7:29:0280. PMID: 41209312
Biotechnol Bioeng

An integrated biomimetic array chip for establishment of collagen-based 3D primary human hepatocyte model for prediction of clinical drug-induced liver injury. [Abstract]

2021 Dec;118(12):4687-4698. PMID: 34478150

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (365.98 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

3.6598 mL

18.2989 mL

36.5979 mL

5 mM

0.7320 mL

3.6598 mL

7.3196 mL

10 mM

0.3660 mL

1.8299 mL

3.6598 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

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In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (9.15 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: ≥ 2.5 mg/mL (9.15 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (284 KB)
SDS (459 KB)
- English - EN (459 KB)
- Français - FR (459 KB)
- Deutsch - DE (459 KB)
- Norwegian - NO (459 KB)
- Español - ES (459 KB)
- Swedish - SV (459 KB)
- Italian - IT (459 KB)
- Portuguese - PT (459 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

References

[1]. De Santi C, et al. Catechol-O-methyltransferase: variation in enzyme activity and inhibition by entacapone and tolcapone. Eur J Clin Pharmacol. 1998 May;54(3):215-9. [Content Brief]

[2]. Di Giovanni S, et al. Entacapone and tolcapone, two catechol O-methyltransferase inhibitors, block fibril formation of alpha-synuclein and beta-amyloid and protect against amyloid-induced toxicity. J Biol Chem. 2010 May 14;285(20):14941-14954. [Content Brief]

[3]. 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. [Content Brief]

[4]. Maser T, et al. Tolcapone induces oxidative stress leading to apoptosis and inhibition of tumor growth in Neuroblastoma. Cancer Med. 2017 Jun;6(6):1341-1352. [Content Brief]

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 1 year; -20°C, 6 months. When stored at -80°C, please use it within 1 year. When stored at -20°C, please use it within 6 months.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	3.6598 mL	18.2989 mL	36.5979 mL	91.4947 mL
	5 mM	0.7320 mL	3.6598 mL	7.3196 mL	18.2989 mL
	10 mM	0.3660 mL	1.8299 mL	3.6598 mL	9.1495 mL
	15 mM	0.2440 mL	1.2199 mL	2.4399 mL	6.0996 mL
	20 mM	0.1830 mL	0.9149 mL	1.8299 mL	4.5747 mL
	25 mM	0.1464 mL	0.7320 mL	1.4639 mL	3.6598 mL
	30 mM	0.1220 mL	0.6100 mL	1.2199 mL	3.0498 mL
	40 mM	0.0915 mL	0.4575 mL	0.9149 mL	2.2874 mL
	50 mM	0.0732 mL	0.3660 mL	0.7320 mL	1.8299 mL
	60 mM	0.0610 mL	0.3050 mL	0.6100 mL	1.5249 mL
	80 mM	0.0457 mL	0.2287 mL	0.4575 mL	1.1437 mL
	100 mM	0.0366 mL	0.1830 mL	0.3660 mL	0.9149 mL

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Tolcapone

Apoptosis Compound Library

Immunology/Inflammation Compound Library

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Publications Citing Use of MedChemExpress (MCE) Tolcapone

Biological Activity

Chemical Information

Publications (4)

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

Tolcapone Related Classifications

Cat. No.: HY-17406