(±)-Ibuprofen Methyl Ester

CAS: 61566-34-5

Ref. TR-I140085

Product Information

• Name: (±)-Ibuprofen Methyl Ester
• Synonyms: 2-(4-Isobutylphenyl)propionic Acid Methyl Ester, Methyl 2-(4-Isobutylphenyl)propionate, Methyl 2-(4'-Isobutylphenyl)propanoate, Methyl 2-(p-Isobutylphenyl)propionate, Methyl α-(4-Isobutylphenyl)propionate, Methyl α-(p-Isobutylphenyl)propionate, Racemic ibuprofen Methyl Ester
• Brand: TRC

Description

Applications (±)-Ibuprofen Methyl Ester is a phototoxic, photoproduct of Ibuprofen (I140000), a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency. Ibuprofen is also used as an anti-inflammatory drug.
References Miranda, M.A., et. al.: Toxicol. In Vitro, 5, 451 (1991); Busson, M., et al.: J. Int. Med Res., 14, 53 (1986); Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993); Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998)

Chemical properties

• Molecular weight: 220.31
• Formula: C₁₄H₂₀O₂
• Color/Form: Neat
• InChI: InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
• InChI key: InChIKey=YNZYUHPFNYBBFF-UHFFFAOYSA-N
• SMILES: COC(=O)C(C)c1ccc(CC(C)C)cc1