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

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Structure
CAS No.
264236-79-5
Chemical Name:
1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid
Synonyms
Celecoxib metabolite M1;Celecoxib carboxylic acid glucuronide;Celecoxib Carboxylic Acid Acyl-β-D-Glucuronide;Celecoxib Carboxylic Acid Acyl-β-D-glucuronide;Celecoxib carboxylic acid acyl-b-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;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]
CBNumber:
CB92621747
Molecular Formula:
C23H20F3N3O10S
Molecular Weight:
587.48
MOL File:
264236-79-5.mol
Modify Date:
2023/5/18 11:31:19

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

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

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Chemical Properties,Uses,Production

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.

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Preparation Products And Raw materials

Raw materials

Preparation Products

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Celecoxib Carboxylic Acid Acyl-β-D-glucuronide Celecoxib carboxylic acid-acyl-beta-D-glucuronide min. 95% Celecoxib Carboxylic Acid-Acyl-beta-D-Glucuronide Celecoxib carboxylic acid acyl-b-D-glucuronide (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoyl]oxyoxane-2-carboxylic acid Celecoxib carboxylic acid glucuronide β-D-Glucopyranuronic acid, 1-[4-[1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate] Celecoxib metabolite M1 Celecoxib Carboxylic Acid Acyl-β-D-Glucuronide 3,4,5-Trihydroxy-6-((4-(1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid 1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid 264236-79-5 C23H20F3N3O10S Heterocycles, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals, Sulfur & Selenium Compounds