CAS 857629-78-8

Entacapone 3-methyl ether

Description:

Entacapone 3-methyl ether, identified by its CAS number 857629-78-8, is a chemical compound that serves as a selective inhibitor of catechol-O-methyltransferase (COMT), an enzyme involved in the metabolism of catecholamines. This compound is primarily utilized in the treatment of Parkinson's disease, often in conjunction with other medications to enhance their efficacy by prolonging the action of levodopa. The molecular structure of Entacapone 3-methyl ether features a methoxy group, which contributes to its pharmacological properties. It is characterized by its moderate solubility in organic solvents and relatively low solubility in water, which influences its bioavailability and absorption in the body. The compound exhibits a favorable pharmacokinetic profile, allowing for effective dosing regimens. Additionally, it has undergone various studies to assess its safety and efficacy, revealing a generally well-tolerated profile with potential side effects that are consistent with its mechanism of action. Overall, Entacapone 3-methyl ether represents an important therapeutic agent in the management of Parkinson's disease symptoms.

Formula: C₁₅H₁₇N₃O₅

InChI: InChI=1S/C15H17N3O5/c1-4-17(5-2)15(20)11(9-16)6-10-7-12(18(21)22)14(19)13(8-10)23-3/h6-8,19H,4-5H2,1-3H3/b11-6+

InChI key: InChIKey=MAZRYCCTAIVEQP-IZZDOVSWSA-N

SMILES: C(=C(/C(N(CC)CC)=O)\C#N)\C1=CC(N(=O)=O)=C(O)C(OC)=C1

Synonyms:

• 2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-
• Entacapone 3-methyl ether
• (2E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide
• Entacapone Impurity 22
• Entacapone Impurity 70
• 3-O-methylentacapone
• (E)-3-O-Methyl Entacapone
• (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
• Entacapone IMpurity G

Entacapone Impurity 21

CAS: 857629-78-8

Formula: C₁₅H₁₇N₃O₅

Color and Shape: Yellow Solid

Molecular weight: 319.32

Ref: 4Z-E-034

(E)-3-O-Methyl Entacapone

Controlled Product

CAS: 857629-78-8

Formula: C₁₅H₁₇N₃O₅

Color and Shape: Neat

Molecular weight: 319.313

Ref: TR-M262485

Entacapone Methoxy Impurity

CAS: 857629-78-8

Formula: C₁₅H₁₇N₃O₅

Molecular weight: 319.32

Ref: ST-EA-CP-E2013