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Rofecoxib COX inhibitor

Cat.No.S3043

Rofecoxib (MK-0966) is a COX-2 inhibitor with IC50 of 18 nM.
Rofecoxib COX inhibitor Chemical Structure

Chemical Structure

Molecular Weight: 314.36

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Quality Control

Cell Culture, Treatment & Working Concentration

Cell Lines Assay Type Concentration Incubation Time Formulation Activity Description PMID
J774 Function assay In vitro inhibitory activity against Prostaglandin G/H synthase 2 in murine J774 cells, IC50=0.012 μM
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Chemical Information, Storage & Stability

Molecular Weight 314.36 Formula

C17H14O4S

 Storage (From the date of receipt)
CAS No. 162011-90-7 Download SDF Storage of Stock Solutions

Synonyms MK-0966 Smiles CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3

Solubility

In vitro
Batch:

DMSO : 63 mg/mL (200.4 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass Concentration Volume Molecular Weight

In vivo
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In vivo Formulation Calculator (Clear solution)

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Working concentration: mg/ml;

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Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Mechanism of Action

Targets/IC50/Ki
COX-2 [1]
18 nM
In vitro
Rofecoxib inhibits the COX-2-dependent production of PGE2 in human osteosarcoma cells with an IC50 of 26 nM. This compound is a time-dependent inhibitor of purified human recombinant COX-2 with an IC50 of 0.34 μM. It causes inhibition of purified human COX-1 in a non-time-dependent manner. In a human whole blood assay, this chemical selectively inhibits lipopolysaccharide-induced, COX-2-derived PGE2 synthesis with an IC50 value of 0.53 μM compared with an IC50 value of 18.8 μM for the inhibition of COX-1-derived thromboxane B2 synthesis after blood coagulation. [1] It moderately inhibits phenacetin O-deethylation with an IC50 of 23 μM. And a 30-minute preincubation with microsomes and NADPH considerably increases the inhibitory effect of this compound with an IC50 of 4.2 μM. Inactivation of CYP1A2 by rofecoxib requires NADPH, and is characterized by a K i of 4.8 μM. [2]
Kinase Assay
In vitro biochemical and pharmacological assaysinhibition studies with recombinant human COX-1 and COX-2
Microsomal preparations of recombinant human COX-1 and COX-2 are prepared from a vaccinia virus-COS-7 cell expression system. Recombinant human COX-1 and COX-2 are expressed in baculovirus-Sf9 cells, and enzymes are purified. Enzymatic activity is monitored continuously by either a fluorescence assay measuring the appearance of the oxidized form of the reducing agent cosubstrate homovanillic acid or by oxygen consumption. The HPLC assay for the assessment of inhibition of purified COX-1 by this compound with 0.1 μM arachidonic acid substrate concentration, the determination of the stoichiometry of the complex between COX-2 and this chemical, the dissociation rate constant of the enzyme-inhibitor complex by recovery of enzymatic activity, and the recovery of intact this compound from that complex are all performed as described previously. The solvent system for the HPLC analysis of this chemical is 15:85 MeOH/aqueous potassium phosphate (1 g/liter), with elution by a linear gradient of 15 to 75% MeOH over 25 minutes with detection at 275 nm on a Novapak C18 column.
In vivo
Rofecoxib potently inhibits carrageenan-induced paw edema, carrageenan-induced paw hyperalgesia, lipopolysaccharide-induced pyresis with IC50 of 1.5 mg/kg, 1.0 mg/kg and 0.24 mg/kg, respectively. This compound also blocks adjuvant-induced arthritis with an IC50 of 0.74 mg/kg/day. It also has a protective effect on adjuvant-induced destruction of cartilage and bone structures in rats. [1] Oral administration of this chemical decreases portal pressure in rats that are treated with CCl4 for 8 weeks. In addition, its administration reduces the number of activated HSCs and downregulates hepatic protein levels of three detected types of collagen, laminin, VEGF and CTGF in CCl4-treated rats. [3]
References

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number Recruitment Conditions Sponsor/Collaborators Start Date Phases
NCT00637988 Completed
Barrett''s Esophagus
AstraZeneca
 April 2002 Phase 4
NCT00038389 Terminated
Glioma|Brain Neoplasms
M.D. Anderson Cancer Center
 October 2001 Phase 1

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