544684-93-7
544684-93-7 structure
- Name: Rofecoxib-d5
- Chemical Name: 3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one
- CAS Number: 544684-93-7
- Molecular Formula: C17H14O4S
- Molecular Weight: 314.35600
- Catalog: Signaling Pathways Immunology/Inflammation COX
- Create Date: 2017-03-19 18:31:27
- Modify Date: 2024-01-12 15:54:41
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Rofecoxib D5 (MK 966 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].
| Name | 3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one |
|---|---|
| Synonyms |
MK 0966-d5
Vioxx-d5 (Major) Rhuma-cure-d5 MK 966-d5 Vioxx-d5 3-(Phenyl-d5)-4-[4-(Methylsulfonyl)phenyl]-2(5H)-furanone Rofecoxib-d5 3-(4-Methanesulfonylphenyl)-2-(phenyl-d5)-2-buten-4-olide |
| Description | Rofecoxib D5 (MK 966 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]. |
|---|---|
| Related Catalog | |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References |
| Molecular Formula | C17H14O4S |
|---|---|
| Molecular Weight | 314.35600 |
| Exact Mass | 314.06100 |
| PSA | 68.82000 |
| LogP | 3.63850 |