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ChemicalBook--->CAS DataBase List--->264236-79-5

264236-79-5

264236-79-5 Structure

264236-79-5 Structure
IdentificationBack Directory
[Name]

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid
[CAS]

264236-79-5
[Synonyms]

Celecoxib metabolite M1
Celecoxib carboxylic acid glucuronide
Celecoxib carboxylic acid acyl-b-D-glucuronide
Celecoxib Carboxylic Acid Acyl-β-D-glucuronide
Celecoxib Carboxylic Acid Acyl-β-D-Glucuronide
Celecoxib Carboxylic Acid-Acyl-beta-D-Glucuronide
Celecoxib carboxylic acid-acyl-beta-D-glucuronide min. 95%
1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid
β-D-Glucopyranuronic acid, 1-[4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid
[Molecular Formula]

C23H20F3N3O10S
[MDL Number]

MFCD28138278
[MOL File]

264236-79-5.mol
[Molecular Weight]

587.48
Chemical PropertiesBack Directory
[Melting point ]

>147°C (dec.)
[Boiling point ]

836.7±75.0 °C(Predicted)
[density ]

1.77±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

Methanol (Slightly, Heated)
[form ]

Solid
[pka]

2.66±0.70(Predicted)
[color ]

Off-White to Pale Yellow
[Stability:]

Hygroscopic
Hazard InformationBack Directory
[Description]

Celecoxib carboxylic acid acyl-β-D-glucuronide is a phase II metabolite of celecoxib . Celecoxib is an anti-inflammatory compound from the diaryl heterocycle class that selectively inhibits cyclooxygenase-2 (COX-2; IC50s = 22.9 and 0.05 μM for COX-1 and COX-2, respectively). Celecoxib carboxylic acid acyl-β-D-glucuronide is a minor metabolite, accounting for 2% of the administered dose in human urine and rat bile.
[Uses]

Celecoxib Carboxylic Acid Acyl-β-D-glucuronide is a glucuronide metabolite of Celecoxib (C251000), a Cox-2 inhibitor.
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