2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid

Names

[ Name ]:
2-(4-Isobutylphenyl)(3,3,3-2H3)propanoic acid

[Synonym ]:
Ibuprofen-d3
Benzeneacetic acid, α-(methyl-d)-4-(2-methylpropyl)-
2-(4-Isobutylphenyl)(3,3,3-H)propanoic acid
rac Ibuprofen-d3

Biological Activity

[Description]:

Ibuprofen D3 is a deuterium labeled Ibuprofen. Ibuprofen is a COX-1 and COX-2 inhibitor with IC50s of 13 μM and 370 μM[1].

[Related Catalog]:

Research Areas >> Inflammation/Immunology

Signaling Pathways >> Immunology/Inflammation >> COX

[References]

[1]. Noreen Y, et al. Development of a radiochemical cyclooxygenase-1 and -2 in vitro assay for identification of natural products as inhibitors of prostaglandin biosynthesis. J Nat Prod. 1998 Jan;61(1):2-7.

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
319.6±11.0 °C at 760 mmHg

[ Melting Point ]:
69-71ºC

[ Molecular Formula ]:
C₁₃H₁₅D₃O₂

[ Molecular Weight ]:
209.299

[ Flash Point ]:
216.7±14.4 °C

[ Exact Mass ]:
209.149506

[ PSA ]:
37.30000

[ LogP ]:
3.72

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.519

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xn,N

[ Risk Phrases ]:
22-51/53

[ Safety Phrases ]:
61

[ RIDADR ]:
UN3077 9/PG 3

Articles

Determination of selected pharmaceuticals in tap water and drinking water treatment plant by high-performance liquid chromatography-triple quadrupole mass spectrometer in Beijing, China.

Environ. Sci. Pollut. Res. Int. 22(3) , 1854-67, (2015)

A simultaneous determination method of 14 multi-class pharmaceuticals using solid-phase extraction (SPE) followed by high-performance liquid chromatography-tandem mass spectrometer (HPLC-MS/MS) was es...

Development of a SPE-UHPLC-MS/MS methodology for the determination of non-steroidal anti-inflammatory and analgesic pharmaceuticals in seawater.

J. Pharm. Biomed. Anal. 106 , 61-70, (2015)

An analytical methodology for the simultaneous determination of seven pharmaceuticals and two metabolites belonging to the non-steroidal anti-inflammatory drugs (NSAIDs) and analgesics therapeutic gro...

Rapid analysis of pharmaceuticals and personal care products in fish plasma micro-aliquots using liquid chromatography tandem mass spectrometry.

J. Chromatogr. A. 1383 , 104-11, (2015)

A sensitive analytical method based on liquid-liquid extraction (LLE) and liquid chromatography tandem mass spectrometry (LC-MS/MS) was developed for rapid analysis of 11 pharmaceuticals and personal ...

Related Compounds

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