Tolcapone (Synonyms: Ro 40-7592)

Name: Tolcapone
Brand: MedChemExpress
SKU: HY-17406
Rating: 5.0 (3 reviews)

Cat. No.: HY-17406 Purity: 99.86%: Data Sheet
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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.

CAS No. : 134308-13-7

Size	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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Customer Review

Based on 3 publication(s) in Google Scholar

Other Forms of Tolcapone:

Tolcapone-d₄ In-stock
Tolcapone-d₇ Get quote
Tolcapone (Standard) Get quote

3 Publications Citing Use of MCE Tolcapone

Others

: 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.

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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]
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
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]
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

Molecular Weight

273.24

Formula

C₁₄H₁₁NO₅

CAS No.

134308-13-7

Appearance

Solid

Color

Light yellow to yellow

SMILES

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

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

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

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

View the Complete Stock Solution Preparation Table

* 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
Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

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

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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
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.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.86%

Select Batch:

Data Sheet (284 KB) SDS (459 KB)

COA (255 KB) LCMS (261 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]

Complete Stock Solution Preparation Table

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

Tolcapone Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Tolcapone134308-13-7Ro 40-7592COMTAmyloid-βApoptosisReactive Oxygen Species (ROS)Catechol-O-methyltransferaseβ-amyloid peptideAβAbetaα-synAβ42ROSParkinson diseaseNeuroblastomaInhibitorinhibitorinhibit

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Tolcapone (Synonyms: Ro 40-7592)

Customer Review

Other Forms of Tolcapone:

Tolcapone Related Antibodies

3 Publications Citing Use of MCE Tolcapone

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Tolcapone Related Antibodies

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Complete Stock Solution Preparation Table

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