SML1452

Ibufenac

≥95% (HPLC)

• Synonym(s): 4-(2-Methylpropyl)-benzeneacetic acid, 4-Isobutylphenylacetic acid
• Empirical Formula (Hill Notation): C₁₂H₁₆O₂
• CAS Number: 1553-60-2
• Molecular Weight: 192.25
• EC Number: 216-302-2
• MDL number: MFCD00864374
• UNSPSC Code: 12352200
• PubChem Substance ID: 329825891
• NACRES: NA.77

Properties

• Quality Level: 100
• assay: ≥95% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 20 mg/mL, clear
• storage temp.: −20°C
• SMILES string: OC(CC1=CC=C(CC(C)C)C=C1)=O
• InChI: 1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
• InChI key: CYWFCPPBTWOZSF-UHFFFAOYSA-N
• Gene Information: human ... PTGS1(5742) , PTGS2(5743)

Description

Biochem/physiol Actions

Ibufenac is a non-steroidal anti-inflammatory drug (NSAID) analog of ibuprofen that was withdrawn for hepatotoxicity. It inhibits cyclooxygenases COX-1 and -2 activity with IC50 values of 17.4 and 13.1 μM, respectively and > 40 μM for 5-LOX. It has been used in studies of drug-induced hepatotoxicity.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable