Ibufenac-13C6

CAS: 1553-60-2

Ref. TR-I809017

Product Information

• Name: Ibufenac-13C6
• Synonyms: 4-(2-Methylpropyl)benzeneacetic Acid-13C6, 4-(2-Methylpropyl)phenylacetic Acid-13C6, 4-Isobutoxyphenylacetic Acid-13C6, 4-Isobutylphenylacetic Acid-13C6, Dytransin-13C6, Ibunac-13C6, Medirex-13C6, NSC 99976-13C6, (p-Isobutylphenyl)acetic acid, 2-(4-Isobutylphenyl)acetic acid, 2-[4-(2-Methylpropyl)phenyl]acetic acid, 4-(2-Methylpropyl)phenylacetic acid, 4-Isobutoxyphenylacetic acid, 4-Isobutylphenylacetic acid, Acetic acid, (p-isobutylphenyl)-, Benzeneacetic acid, 4-(2-methylpropyl)-, Dytransin, Ibufenac, Ibunac, Isodilan, Medirex, NSC 99976, Rd 11654, [4-(2-Methylpropyl)Phenyl]Acetate, [4-(2-Methylpropyl)Phenyl]Acetic Acid

Description

Applications Ibufenac-13C6 is an intermediate in synthesizing Ibuprofen-13C6 (I140003), a labelled Ibuprofen. It is a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.
References 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)

• Brand: TRC

Chemical properties

• Molecular weight: 198.21
• Formula: C₆C₆H₁₆O₂
• Color/Form: Neat
• InChI: 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)/i3+1,4+1,5+1,6+1,10+1,11+1
• InChI key: InChIKey=VUBBCFWWSKOHTH-MSQIWANRSA-N
• SMILES: CC(C)C[13c]1[13cH][13cH][13c](C(=O)O)[13cH][13cH]1