Celecoxib Chemical Structure

Celecoxib Chemical Structure
Molecular Weight: 381.37

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Related Compound Libraries

COX Inhibitors with Unique Features

  • Pan COX inhibitor

    Naproxen Pan-COX inhibitor, COX-1, IC50=8.7 μM; COX-2, IC50=5.2 μM.

  • Most Potent COX Inhibitor

    Lornoxicam COX-1, IC50=5 nM; COX-2, IC50=8 nM.

  • FDA-approved COX Inhibitor

    Ibuprofen Approved by FDA for relieving pain, alleviating fever,and reducing inflammation.

  • Classic COX Inhibitor

    Ketorolac Non-selective COX inhibitor of COX-1 and COX-2 with IC50 of 1.23 μM and 3.50 μM, respectively.

Product Information

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  • Research Area

Product Description

Biological Activity

Description Celecoxib is a selective COX-2 inhibitor with IC50 of 40 nM in Sf9 cells.
Targets COX-2 [1]
(Sf9 cells)
IC50 40 nM
In vitro Celecoxib shows low sensitivity against COX-1 with IC50 of 15 μM. [1] Celecoxib shows an anti-proliferative effect on nasopharyngeal carcinoma (NPC) cell lines including HNE1 and CNE1-LMP1 with IC50 of 32.86 μM and 61.31 μM, respectively. [2]
Cell Data
Cell LinesAssay TypeConcentrationIncubation TimeFormulationActivity DescriptionPMID
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... Click to View More Cell Line Experimental Data

In vivo Celecoxib exhibits a potent, oral anti-inflammatory activity. Celecoxib reduces acute inflammation in the carrageenan edema assay and chronic inflammation in the adjuvant arthritis model with ED50 of 7.1 mg/kg and 0.37 mg/kg/day, respectively. In addition, Celecoxib also exhibits analgesic activity in the Hargreaves hyperalgesia model with ED50 of 34.5 mg/kg. Besides, Celecoxib produces no acute GI toxicity in rats at doses up to 200 mg/kg and no chronic GI toxicity in rats at doses up to 600 mg/kg/day over 10 days. [1] In a C3Hf/KamLaw female mouse model, Celecoxib increases median survival time of 105 days (range, 79-145 days) after 13.5 Gy local thoracic irradiation (LTI) alone to 142 days (range, 94-155 days). [3]
Features

Protocol(Only for Reference)

Kinase Assay: [1]

COX enzyme assay in vitro Expression of COX protein in insect cells is determined by assessing PG-synthetic capability in homogenates from cells incubated for 3 days with COX-1 or COX-2 baculovirus. Cells expressing COX-1 or COX-2 are homogenized and incubated with arachidonic acid (10 μM). COX activity is determined by monitoring PG production. No COX activity is detected in mock-infected Sf9 cells. Celecoxib are preincubated with crude 1% CHAPS homogenates (2-10 μg of protein) for 10 minutes before addition of arachidonic acid. PGE2 formed is detected by ELISA after 10 minute incubation.

Cell Assay: [2]

Cell lines HNE1 and CNE1-LMP1
Concentrations 0-75 μM
Incubation Time 48 hours
Method The antiproliferative effect of Celecoxib on NPC cells is assessed using an MTT assay. Cells are seeded into 96-well plates and allowed to attach for 24 hours. The cells are then treated with increasing concentrations of Celecoxib (0 to 75 μM) dissolved in DMSO (final concentration ≤0.1%) and incubated for up to 48 hours. After the incubation, 20 μL of MTT dye (5 mg/mL) are added to each well and cells are incubated at 37 °C for 4 hours. After removing the supernatants, the crystals are dissolved in DMSO and the absorbance is measured at 490 nm. The half-maximal inhibitory concentration (IC50) values and the 95% confidence intervals are calculated using probit regression using SPSS 15.0 software. The experiment is performed in triplicate and repeated at least three times.

Animal Study: [1]

Animal Models A 0.1 mL aliquot of a 1% solution of carrageenan in 0.9% sterile saline or 1 mg of Mycobacterium butyricum in 50 μL of mineral oil is administered to the right hind foot pad of male Sprague−Dawley rats.
Formulation Celecoxib is dissolved in 0.5% methyl cellulose and 0.025% Tween-20.
Dosages ≤200 mg/kg
Administration Administered via p.o.

Conversion of different model animals based on BSA (Value based on data from FDA Draft Guidelines)

SpeciesMouseRatRabbitGuinea pigHamsterDog
Weight (kg)0.020.151.80.40.0810
Body Surface Area (m2)0.0070.0250.150.050.020.5
Km factor36128520
Animal A (mg/kg) = Animal B (mg/kg) multiplied by  Animal B Km
Animal A Km

For example, to modify the dose of resveratrol used for a mouse (22.4 mg/kg) to a dose based on the BSA for a rat, multiply 22.4 mg/kg by the Km factor for a mouse and then divide by the Km factor for a rat. This calculation results in a rat equivalent dose for resveratrol of 11.2 mg/kg.

Rat dose (mg/kg) = mouse dose (22.4 mg/kg) ×  mouse Km(3)  = 11.2 mg/kg
rat Km(6)
1

References

[1] Penning TD, et al. J Med Chem, 1997, 40(9), 1347-1365.

[2] Liu DB, et al. Acta Pharmacol Sin, 2012, 33(5), 682-690.

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Clinical Trial Information( data from http://clinicaltrials.gov, updated on 2016-07-30)

NCT Number Recruitment Conditions Sponsor
/Collaborators
Start Date Phases
NCT02160301 Suspended Post Operative Pain Control University of North Carolina, Chapel Hill November 2017 Phase 4
NCT02827487 Not yet recruiting Pain Cairo University July 2017 Phase 4
NCT02770378 Not yet recruiting Glioblastoma University of Ulm|Reliable Cancer Therapies|Anticancer Fu  ...more University of Ulm|Reliable Cancer Therapies|Anticancer Fund, Belgium August 2016 Phase 1
NCT02703363 Not yet recruiting Depression|Bipolar Disorder|Bipolar Depression|Mood Disorders Pakistan Institute of Learning and Living|Dow University  ...more Pakistan Institute of Learning and Living|Dow University of Health Sciences|Abbasi Shaheed Hospital|Rawalpindi Medical College, Pakistan|University of Manchester|Stanley Medical Research Institute August 2016 Phase 3
NCT02845336 Recruiting Thyroid Eye Disease Johns Hopkins University July 2016 Phase 2

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Chemical Information

Download Celecoxib SDF
Molecular Weight (MW) 381.37
Formula

C17H14F3N3O2S

CAS No. 169590-42-5
Storage 3 years -20℃powder
6 months-80℃in solvent
Synonyms SC 58635
Solubility (25°C) * In vitro DMSO 76 mg/mL (199.28 mM)
Ethanol 33 mg/mL (86.53 mM)
Water <1 mg/mL (<1 mM)
In vivo 2% DMSO+30% PEG 300+5% Tween 80+ddH2O 5mg/mL
* <1 mg/ml means slightly soluble or insoluble.
* Please note that Selleck tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations.
Chemical Name 4-(5-p-tolyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide

Frequently Asked Questions

  • Question 1
    I am doing an animal experiment with mice and planning to administrate S1261 via oral gavage. what are your recommendations for diluting the compound?

    Answer: For oral administration, Celecoxib can be dissolved in vehicle one: "0.5% methyl cellulose and 0.025% Tween-20", or the vehicle 2 "2% DMSO/30% PEG 300/5% Tween 80/ ddH2O".

Tech Support

Answers to questions you may have can be found in the inhibitor handling instructions. Topics include how to prepare stock solutions, how to store inhibitors, and issues that need special attention for cell-based assays and animal experiments.

Tel: +1-832-582-8158 Ext:3

If you have any other enquiries, please leave a message.

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