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).
Product information
CAS Number: 544684-93-7
Molecular Weight: 319.39
Formula: C17H14O4S
Chemical Name: 4-(4-methanesulfonylphenyl)-3-[(2,3,4,5,6-²H₅)phenyl]-2,5-dihydrofuran-2-one
Smiles: [2H]C1=C(C2=C(COC2=O)C2C=CC(=CC=2)S(C)(=O)=O)C([2H])=C([2H])C([2H])=C1[2H]
InChiKey: RZJQGNCSTQAWON-VIQYUKPQSA-N
InChi: 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
Technical Data
Appearance: Solid Power
Purity: ≥98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis
Storage Condition: Dry, dark and -20 oC for 1 year or refer to the Certificate of Analysis.
Shelf Life: ≥12 months if stored properly.
Stock Solution Storage: 0 - 4 oC for 1 month or refer to the Certificate of Analysis.
Drug Formulation: To be determined
HS Tariff Code: 382200
How to use
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.
Products are for research use only. Not for human use.
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