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Entacapone Histone Methyltransferase inhibitor

Name: Entacapone
Brand: Selleck Chemicals
SKU: S3147
Availability: InStock
Rating: 5 (2 reviews)

Cat.No.S3147

Entacapone (OR-611) inhibits catechol-O-methyltransferase(COMT) with IC50 of 151 nM. This compound can be used for the research of Parkinson's disease. It serves as a inhibitor of FTO demethylation with an IC50 of 3.5 μM, can be used for the research of metabolic disorders.

Chemical Structure

Molecular Weight: 305.29

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Quality Control

Batch: S314701 DMSO]61 mg/mL]false]Ethanol]2 mg/mL]false]Water]Insoluble]false Purity: 99.98%

Cited in Nature Medicine for its top-tier quality
COA
NMR
SDS
Datasheet

99.98

Related Targets	HDAC JAK BET PKC PARP HIF PRMT EZH2 AMPK Histone Acetyltransferase
Other Histone Methyltransferase Inhibitors	Pinometostat (EPZ5676) 3-Deazaneplanocin A (DZNep) Hydrochloride BIX-01294 trihydrochloride EPZ004777 EPZ015666 (GSK3235025) UNC1999 EPZ005687 SGC 0946 MM-102 UNC0638

Solubility

In vitro
Batch:

DMSO : 61 mg/mL (199.81 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 2 mg/mL

Water : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%TFA 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	3.05mg/ml (9.99mM)	Taking the 1 mL working solution as an example, add 50 μL of 61 mg/ml clarified TFA stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	305.29	Formula	C₁₄H₁₅N₃O₅	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	130929-57-6	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	OR-611			Smiles	CCN(CC)C(=O)C(=CC1=CC(=C(C(=C1)O)O)[N+](=O)[O-])C#N

Mechanism of Action

Targets/IC₅₀/Ki	COMT 151 nM
In vitro	Entacapone inhibits catechol-O-methyltransferase(COMT) with similar IC50 in different tissues including live, duodenum, kidney and lung, but this compound is more active than tolcapone in those tissues. This compound (< 100 μM) is a potent inhibitor of α-syn and β-amyloid (Aβ) oligomerization and fibrillogenesis, and also protects against extracellular toxicity induced by the aggregation of both proteins in PC12 cells.
In vivo	Entacapone administration reduced body weight and lowered fasting blood glucose concentrations in diet-induced obese mice.
References	[1] https://pubmed.ncbi.nlm.nih.gov/9681662/ [2] https://pubmed.ncbi.nlm.nih.gov/20150427/ [3] https://pubmed.ncbi.nlm.nih.gov/14718680/ [4] https://pubmed.ncbi.nlm.nih.gov/19879254/ [5] https://pubmed.ncbi.nlm.nih.gov/30996080/

Clinical Trial Information

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

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT02058966	Completed	Methamphetamine Dependence	Oregon Health and Science University\|Portland VA Medical Center	June 2014	Early Phase 1
NCT00547911	Terminated	Parkinson Disease\|Multiple System Atrophy\|Autonomic Nervous System Diseases	National Institute of Neurological Disorders and Stroke (NINDS)\|National Institutes of Health Clinical Center (CC)	October 2007	Phase 1\|Phase 2
NCT00415922	Completed	Healthy	Novartis	July 2006	Phase 1
NCT00415831	Completed	Healthy	Novartis	June 2006	Phase 1
NCT00415844	Completed	Healthy	Novartis	June 2006	Phase 1

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