1329643-44-8

1329643-44-8 structure
1329643-44-8 structure
  • Name: (S)-(+)-Ibuprofen D3
  • Chemical Name: (2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid
  • CAS Number: 1329643-44-8
  • Molecular Formula: C13H15D3O2
  • Molecular Weight: 209.299
  • Catalog: Signaling Pathways Immunology/Inflammation COX
  • Create Date: 2018-06-07 15:05:00
  • Modify Date: 2024-01-02 23:55:09
  • (S)-(+)-Ibuprofen D3 ((S)-Ibuprofen D3) is a deuterium labeled (S)-(+)-Ibuprofen. (S)-(+)-Ibuprofen is the S(+)-enantiomer of Ibuprofen that inhibits COX-1 and COX-2 activity with IC50s of 2.1 μM and 1.6 μM. (S)-(+)-Ibuprofen has analgesic, antiinflammatory and antipyretic effects[1][2].

Name (2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid
Synonyms (2S)-2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid
Benzeneacetic acid, α-(methyl-d3)-4-(2-methylpropyl)-, (αS)-
Description (S)-(+)-Ibuprofen D3 ((S)-Ibuprofen D3) is a deuterium labeled (S)-(+)-Ibuprofen. (S)-(+)-Ibuprofen is the S(+)-enantiomer of Ibuprofen that inhibits COX-1 and COX-2 activity with IC50s of 2.1 μM and 1.6 μM. (S)-(+)-Ibuprofen has analgesic, antiinflammatory and antipyretic effects[1][2].
Related Catalog
Target

COX-1:2.1 μM (IC50)

COX-2:1.6 μM (IC50)

References

[1]. Evans AM, et al. Comparative pharmacology of S(+)-ibuprofen and (RS)-ibuprofen. Clin Rheumatol. 2001 Nov;20 Suppl 1:S9-14.

[2]. Xu HR, et al. The effect of CYP2C19 activity on pharmacokinetics of lansoprazole and its active metabolites in healthy subjects. Pharm Biol. 2010 Aug;48(8):947-52.

Density 1.0±0.1 g/cm3
Boiling Point 319.6±11.0 °C at 760 mmHg
Molecular Formula C13H15D3O2
Molecular Weight 209.299
Flash Point 216.7±14.4 °C
Exact Mass 209.149506
LogP 3.72
Vapour Pressure 0.0±0.7 mmHg at 25°C
Index of Refraction 1.519