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About This Item

Empirical Formula (Hill Notation):
C15H13F2NO4S
CAS Number:
116686-15-8
Molecular Weight:
341.33
MDL number:
MFCD00876455
UNSPSC Code:
51111800
NACRES:
NA.77
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Quality Level

100

Assay

≥98% (HPLC)

form

solid

manufacturer/tradename

Calbiochem®

storage condition

OK to freeze
protect from light

color

white

solubility

ethanol: 15 mg/mL
DMSO: 30 mg/mL

shipped in

ambient

storage temp.

2-8°C

SMILES string

Fc1c(ccc(c1)F)Oc2c(ccc(c2)C(=O)C)N[S](=O)(=O)C

InChI

1S/C15H13F2NO4S/c1-9(19)10-3-5-13(18-23(2,20)21)15(7-10)22-14-6-4-11(16)8-12(14)17/h3-8,18H,1-2H3

InChI key

DIIYLGZNZGPXRR-UHFFFAOYSA-N

General description

A cell-permeable and orally available sulfonanilide that acts as a COX-2-selective non-steroidal anti-inflammatory drug (NSAID). Shown to exhibit 500-fold greater potency in inhibiting the LPS-induced (IC50 = 316 nM in human mononuclear cells) than the non-induced/constitutive (IC50 = 160 µM in human platelets) TxB2 production in vitro and effectively alleviate warm ischemia-reperfusion injury in the canine liver and rat lung in vivo.

Packaging

Packaged under inert gas

Preparation Note

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Otani, Y., et al. 2007. J. Invest. Surg.20, 175.
Sunose, Y., et al. 2001. Transplant Proc.33, 862.
Grossman, C.J., et al. 1995. Inflamm. Res.44, 253.
Nakamura, K., et al. 1993. Chem. Pharm. Bull.41, 2050.
Tsuji, K., et al. 1992. Chem. Pharm. Bull.40, 2399.

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 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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