544684-93-7
Chemical Structure
Rofecoxib-d5
- CAS No.: 544684-93-7
- Formula:C17H9D5O4S
- Molecular Weight:319.39
IUPAC Name: 4-(4-(methylsulfonyl)phenyl)-3-(phenyl-d5)furan-2(5H)-one
InChIKey: RZJQGNCSTQAWON-VIQYUKPQSA-N
SMILES: O=C1C(C2=C([2H])C([2H])=C([2H])C([2H])=C2[2H])=C(C3=CC=C(C=C3)S(C)(=O)=O)CO1
Biological Activity: Rofecoxib-d5 is the deuterium labeled Rofecoxib. Rofecoxib is a potent, specific and orally active COX-2 inhibitor, with IC50s of 26 and 18 nM for human COX-2 in human osteosarcoma cells and Chinese hamster ovary cells, with a 1000-fold selectivity for COX-2 over human COX-1 (IC50 > 50 μM in U937 cells and > 15 μM in Chinese hamster ovary cells)[1][2].
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Rofecoxib-d5 | Rofecoxib-d5 is the deuterium labeled Rofecoxib. Rofecoxib is a potent, specific and orally active COX-2 inhibitor, with IC50s of 26 and 18 nM for human COX-2 in human osteosarcoma cells and Chinese hamster ovary cells, with a 1000-fold selectivity for COX-2 over human COX-1 (IC50 > 50 μM in U937 cells and > 15 μM in Chinese hamster ovary cells). | |||||||||||||||||||||
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Rofecoxib (Standard) | ≥98% | Rofecoxib (Standard) is the analytical standard of Rofecoxib. This product is intended for research and analytical applications. Rofecoxib is a potent, specific and orally active COX-2 inhibitor, with IC50s of 26 and 18 nM for human COX-2 in human osteosarcoma cells and Chinese hamster ovary cells, with a 1000-fold selectivity for COX-2 over human COX-1 (IC50 > 50 μM in U937 cells and > 15 μM in Chinese hamster ovary cells). | ||||||||||||||||||||
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Rofecoxib | 99.89% | Rofecoxib is a potent, specific and orally active COX-2 inhibitor, with IC50s of 26 and 18 nM for human COX-2 in human osteosarcoma cells and Chinese hamster ovary cells, with a 1000-fold selectivity for COX-2 over human COX-1 (IC50 > 50 μM in U937 cells and > 15 μM in Chinese hamster ovary cells). | ||||||||||||||||||||
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References
- [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [Content Brief]
- [2]. Rofecoxib, 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. 1999 Aug;290(2):551-60. [Content Brief]
