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About This Item
Empirical Formula (Hill Notation):
C13H18N2O5S
CAS Number:
Molecular Weight:
314.36
MDL number:
UNSPSC Code:
41121800
NACRES:
NA.77
Quality Level
Assay
≥98% (TLC)
form
solid
manufacturer/tradename
Calbiochem®
storage condition
OK to freeze
color
pale yellow
solubility
DMSO: 20 mg/mL
shipped in
ambient
storage temp.
10-30°C
SMILES string
[S](=O)(=O)(Nc1c(cc(cc1)[N+](=O)[O-])OC2CCCCC2)C
InChI
1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChI key
KTDZCOWXCWUPEO-UHFFFAOYSA-N
Related Categories
General description
A cell-permeable selective inhibitor of COX-2 in vitro. Inhibits sheep placental COX-2 (IC50 = 3.8 µM) while COX-1 activity is unaffected at concentrations up to 100 µM. Displays potent anti-inflammatory and analgesic activity in vivo in rat at concentrations from 0.3 to 5 mg/kg.
A cell-permeable, selective inhibitor of cyclooxygenase-2 (COX-2) in vitro. Inhibits sheep placenta COX-2 (IC50 = 3.8 µM) while COX-1 activity is completely unaffected at concentrations up to 100 µM. Displays potent anti-inflammatory and analgesic activity in vivo in rat at concentrations of 0.3 to 5 mg/kg. Does not produce any significant gastrointestinal lesions even at single oral doses of 1000 mg/kg. A useful tool to explore the role of COX-2 in physiologic and pathophysiologic processes.
Biochem/physiol Actions
Cell permeable: yes
Primary Target
COX-2
COX-2
Product does not compete with ATP.
Reversible: no
Target IC50: 3.8 µM against COX-2
Preparation Note
Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 2 months at -20°C.
Other Notes
Ouellet, M., and Percival, M.D. 1995. Biochem. J.306, 247.
Futaki, N., et al. 1994. Prostaglandins47, 55.
Arai, I., et al. 1993. Res. Comm. Chem. Pathol. Pharmacol.81, 259.
Futaki, N., et al. 1993. Gen. Pharmacol.24, 105.
Futaki, N., et al. 1993. J. Pharm.Pharmacol.45, 753.
Futaki, N., et al. 1994. Prostaglandins47, 55.
Arai, I., et al. 1993. Res. Comm. Chem. Pathol. Pharmacol.81, 259.
Futaki, N., et al. 1993. Gen. Pharmacol.24, 105.
Futaki, N., et al. 1993. J. Pharm.Pharmacol.45, 753.
Legal Information
CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany
Disclaimer
Toxicity: Standard Handling (A)
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Certificates of Analysis (COA)
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Oluwatobiloba Osikoya et al.
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