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Supelco

Ibuprofen

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Synonym(s):
α-Methyl-4-(isobutyl)phenylacetic acid, (±)-2-(4-Isobutylphenyl)propanoic acid
Empirical Formula (Hill Notation):
C13H18O2
CAS Number:
15687-27-1
Molecular Weight:
206.28
EC Number:
239-784-6
MDL number:
MFCD00010393
PubChem Substance ID:
329815343
NACRES:
NA.24

Assay

≥98% (HPLC)

Quality Level

100

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

color

white to off-white

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

SMILES string

CC(C)Cc1ccc(cc1)C(C)C(O)=O

InChI

1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)

InChI key

HEFNNWSXXWATRW-UHFFFAOYSA-N

Gene Information

human ... PTGS1(5742) , PTGS2(5743)

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General description

Ibuprofen is a non-steroidal and anti-inflammatory drug, which finds a variety of therapeutic applications in relieving pain and inflammatory disorders.

Application

Ibuprofen has been used as a test compound in studying its removal from aqueous solutions via adsorption on titanium dioxide based multi-walled carbon nanotube membranes. It is also used as an external reference standard in order to validate the purity of the macro-cyclic peptides, an emerging therapeutic drug modality, using nuclear magnetic resonance technique (NMR).
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Biochem/physiol Actions

Cyclooxygenase (COX) inhibitor that has greater activity against COX-1 than against COX-2.

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Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 - H319 - H335

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Tiered analytics for purity assessment of macrocyclic peptides in drug discovery: Analytical consideration and method development
Cutrone QJ, et al.
Journal of Pharmaceutical and Biomedical Analysis, 138, 166-174 (2017)
Comparison of an antiinflammatory dose of ibuprofen, an analgesic dose of ibuprofen, and acetaminophen in the treatment of patients with osteoarthritis of the knee.
Bradley D J, et al.
The New England Journal of Medicine, 325(2), 87-91 (1991)
Cell Surface Extensions: Advances in Research and Application: 2011 Edition (2012)
Photo-regenerable multi-walled carbon nanotube membranes for the removal of pharmaceutical micropollutants from water.
Zaib Q, et al.
Environmental Science. Processes & Impacts, 15(8), 1582-1589 (2013)
Morshed A Chowdhury et al.
Journal of medicinal chemistry, 52(6), 1525-1529 (2009-03-20)
A novel class of 1-(4-methanesulfonylphenyl and 4-aminosulfonylphenyl)-5-[4-(1-difluoromethyl-1,2-dihydropyrid-2-one)]-3-trifluoromethyl-1H-pyrazole hybrid cyclooxygenase-2 (COX-2)/5-lipoxygenase (5-LOX) inhibitory anti-inflammatory agents was designed. Replacement of the tolyl ring present in celecoxib by the N-difluoromethyl-1,2-dihydropyrid-2-one moiety provided compounds showing dual selective COX-2/5-LOX inhibitory activities. 1-(4-Aminosulfonylphenyl)-5-[4-(1-difluoromethyl-1,2-dihydropyrid-2-one)]-3-trifluoromethyl-1H-pyrazole exhibited good anti-inflammatory
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