I110
布洛芬
别名:
α-甲基-4-(异丁基)苯乙酸, (±)-2-(4-异丁基苯基)丙酸
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关于此项目
经验公式（希尔记法）:
C13H18O2
化学文摘社编号:
分子量:
206.28
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
EC Number:
239-784-6
MDL number:
InChI key
HEFNNWSXXWATRW-UHFFFAOYSA-N
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)
SMILES string
CC(C)Cc1ccc(cc1)C(C)C(O)=O
assay
≥98% (HPLC)
technique(s)
HPLC: suitable
gas chromatography (GC): suitable
color
white to off-white
application(s)
forensics and toxicology
pharmaceutical (small molecule)
format
neat
Quality Level
Gene Information
human ... PTGS1(5742), PTGS2(5743)
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Biochem/physiol Actions
环加氧酶 (COX) 抑制剂，对 COX-1 的抑制活性大于对 COX-2 的抑制活性。
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).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
General description
Ibuprofen is a non-steroidal and anti-inflammatory drug, which finds a variety of therapeutic applications in relieving pain and inflammatory disorders.
Other Notes
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.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Eye Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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)
Cell Surface Extensions: Advances in Research and Application: 2011 Edition (2012)
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)
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)
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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