CAS 101973-77-7

α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid

Description:

α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid, with the CAS number 101973-77-7, is a chemical compound that features a complex structure characterized by the presence of both an acetylthio group and a γ-oxobenzenebutanoic acid moiety. This compound typically exhibits properties associated with both acidic and thioether functionalities, which can influence its reactivity and solubility in various solvents. The presence of the methyl group on the aromatic ring contributes to its hydrophobic characteristics, while the carboxylic acid group imparts acidic properties. Such compounds may exhibit biological activity, making them of interest in pharmaceutical research. Additionally, the structural features suggest potential for various chemical reactions, including nucleophilic substitutions and esterifications. Overall, the unique combination of functional groups in this compound may lead to diverse applications in organic synthesis and medicinal chemistry.

Formula: C₁₄H₁₆O₄S

InChI: InChI=1/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18)

InChI key: InChIKey=YRSSFEUQNAXQMX-UHFFFAOYSA-N

SMILES: C(CC(CSC(C)=O)C(O)=O)(=O)C1=CC=C(C)C=C1

Synonyms:

• (+-)-3-Mercapto-2-(p-methylphenacyl)propionic acid acetate
• 2-[(Acetylsulfanyl)Methyl]-4-(4-Methylphenyl)-4-Oxobutanoic Acid
• Benzenebutanoic acid, alpha-((acetylthio)methyl)-4-methyl-gamma-oxo-
• Benzenebutanoic acid, α-[(acetylthio)methyl]-4-methyl-γ-oxo-
• Esonarimod
• Esonarimod [INN]
• Ke 298
• Unii-Pf4079Thqo
• α-[(Acetylthio)methyl]-4-methyl-γ-oxobenzenebutanoic acid
• 2-Acetylthiomethyl-3-(4-methylbenzoyl)propionic acid
• 2-Acetylthiomethyl-3-(4-methylbenzoyl)propionic acid
• KE298
• Esonarimod KE-298

2-acetylthiomethyl-3-(4-methylbenzoyl)propionic acid

CAS: 101973-77-7

Formula: C₁₄H₁₆O₄S

Purity: 98.10%

Color and Shape: Solid

Molecular weight: 280.3394

Ref: IN-DA008UZ1

Esonarimod

CAS: 101973-77-7

Esonarimod

Purity: ≥95%

Molecular weight: 280.34g/mol

Ref: 54-BUP06024

Esonarimod

CAS: 101973-77-7

Esonarimod (KE-298) is an antirheumatic drug.

Formula: C₁₄H₁₆O₄S

Purity: 97.44%

Color and Shape: Solid

Molecular weight: 280.34

Ref: TM-T4279

ESONARIMOD

CAS: 101973-77-7

Purity: 90%

Molecular weight: 280.3399963

Ref: 10-F840713