| Identification | Back 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 Properties | Back 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 Information | Back 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. | [References]
[1] S K PAULSON. Metabolism and excretion of [(14)C]celecoxib in healthy male volunteers.[J]. Drug Metabolism and Disposition, 2000, 28 3: 308-314.
[2] YONG MA Ming H Song Gao. Quantitation of celecoxib and four of its metabolites in rat blood by UPLC-MS/MS clarifies their blood distribution patterns and provides more accurate pharmacokinetics profiles[J]. Journal of Chromatography B, 2015, 1001: Pages 202-211. DOI: 10.1016/j.jchromb.2015.07.026
[3] Y. AMY SIU . Celecoxib is a substrate of CYP2D6: Impact on celecoxib metabolism in individuals with CYP2C9*3 variants[J]. Drug Metabolism and Pharmacokinetics, 2018, 33 5: Pages 219-227. DOI: 10.1016/j.dmpk.2018.06.001 |
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BOC Sciences
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