CAS 1091621-62-3

4-[(1-Hydroxy-2-oxocyclopentyl)methyl]-α-methylbenzeneacetic acid

Description:

4-[(1-Hydroxy-2-oxocyclopentyl)methyl]-α-methylbenzeneacetic acid, identified by its CAS number 1091621-62-3, is a chemical compound that features a complex structure incorporating both a cyclopentane ring and an aromatic system. This compound is characterized by the presence of a hydroxyl group and a ketone functionality within the cyclopentyl moiety, contributing to its potential reactivity and biological activity. The α-methylbenzeneacetic acid portion indicates that it has an aromatic ring with a methyl group and a carboxylic acid functional group, which may influence its solubility and interaction with biological systems. Such compounds often exhibit interesting pharmacological properties, making them of interest in medicinal chemistry. The specific stereochemistry and functional groups present can affect the compound's behavior in various chemical reactions and its interactions with biological targets. Overall, this compound represents a unique combination of structural features that may lead to diverse applications in research and industry.

Formula: C₁₅H₁₈O₄

InChI: InChI=1S/C15H18O4/c1-10(14(17)18)12-6-4-11(5-7-12)9-15(19)8-2-3-13(15)16/h4-7,10,19H,2-3,8-9H2,1H3,(H,17,18)

InChI key: InChIKey=UTJVOBDAGCYQID-UHFFFAOYSA-N

SMILES: C(C1(O)C(=O)CCC1)C2=CC=C(C(C(O)=O)C)C=C2

Synonyms:

• 4-[(1-Hydroxy-2-oxocyclopentyl)methyl]-α-methylbenzeneacetic acid
• Benzeneacetic acid, 4-[(1-hydroxy-2-oxocyclopentyl)methyl]-α-methyl-
• Loxoprofen Sodium Degradation Impurity A(Loxoprofen Related Compound 2)
• Loxoprofen Impurity 43
• Loxoprofen Impurity 50
• Loxoprofen Degradation Impurity A
• Loxoprofen Related Compound 2 (Mixture of Diastereomers)
• Loxoprofen Related 4

Loxoprofen Impurity 65 (Mixture of Diastereomers)

CAS: 1091621-62-3

Formula: C₁₅H₁₈O₄

Color and Shape: White To Off-White Solid

Molecular weight: 262.31

Ref: 4Z-L-894

Loxoprofen Related Compound 2

Controlled Product

CAS: 1091621-62-3

Formula: C₁₅H₁₈O₄

Color and Shape: Neat

Molecular weight: 144.128

Ref: TR-L472918

Loxoprofen Related Compound 2 - mixture of diastereomers

CAS: 1091621-62-3

Loxoprofen Related Compound 2 is a mixture of diastereomers that is an impurity in the drug product, Loxoprofen. Loxoprofen Related Compound 2 is a metabolite of loxoprofen and its concentration in blood plasma after administration of loxoprofen can be used as an indicator for pharmacokinetics. The compound has been shown to inhibit the activity of bacterial dna gyrase and topoisomerase IV, which are enzymes that maintain the integrity of bacterial DNA. Loxoprofen Related Compound 2 was found to be less active than loxoprofen against MRSA and Clostridium perfringens, although it was more active than loxoprofen against Mycobacterium tuberculosis, Mycobacterium avium complex, and methicillin-resistant Staphylococcus aureus (MRSA).

Formula: C₁₅H₁₈O₄

Purity: Min. 95%

Molecular weight: 262.3 g/mol

Ref: 3D-FL162229