An internal standard for the quantification of rofecoxib
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Unlabeled Version(s)
10010260Rofecoxib
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Rofecoxib-d5

Item No. 28900

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
4-[4-(methylsulfonyl)phenyl]-3-(phenyl-d5)-2(5H)-furanone
CAS Number
544684-93-7
Molecular Formula
C17H9D5O4S
Formula Weight
319.4
Purity
≥99% deuterated forms (d1-d5)
Formulation
A solid
Solubility(Learn about Variance in Solubility)
Acetonitrile: solubleDMSO: soluble
SMILES
O=C1OCC(C2=CC=C(S(C)(=O)=O)C=C2)=C1C3=C([2H])C([2H])=C([2H])C([2H])=C3[2H]
InChi Code
InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3/i2D,3D,4D,5D,6D
InChi Key
RZJQGNCSTQAWON-VIQYUKPQSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    500 µg

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    1 mg

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    Product Description

    Rofecoxib-d5 is intended for use as an internal standard for the quantification of rofecoxib (Item No. 10010260) by GC- or LC-MS. Rofecoxib is a non-steroidal anti-inflammatory drug (NSAID) that selectively inhibits COX-2 over COX-1 with IC50 values of 0.018 and >15 µM, respectively, for production of prostaglandin E2 (PGE2; Item No. 14010) in CHO cells expressing the recombinant human enzymes.1 In vivo, rofecoxib inhibits carrageenan-induced paw edema and hyperalgesia (ID50s = 1.5 and 1.0 mg/kg, respectively), LPS-induced pyresis (ID50 = 0.24 mg/kg), and M. butyricum-induced arthritis (ID50 = 0.74 mg/kg per day) in rats. Formulations containing rofecoxib were previously used in the treatment of pain and arthritis.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Chan, C.C., Boyce, S., Brideau, C., et al. Rofecoxib [Vioxx, MK-0966; 4-(4'-methylsulfonylphenyl)-3-phenyl-2-(5H)-furanone]: A potent and orally active cyclooxygenase-2 inhibitor. Pharmacological and biochemical profiles. J. Pharmacol. Exp. Ther. 290(2), 551-560 (1999).