170571-00-3

Basic information

• Product Name: HYDROXYMETHYL CELECOXIB
• Synonyms: HYDROXYMETHYL CELECOXIB;Hydroxy Celecoxib;BenzenesulfonaMide, 4-[5-[4-(hydroxyMethyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-1-yl]-;Celecoxib HydroxyMethyl Analog
• CAS NO: 170571-00-3
• Molecular Formula: C₁₇H₁₄F₃N₃O₃S
• Molecular Weight: 397.37
• Product Categories: Heterocycles;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 170571-00-3.mol
• Article Data: 9

Chemical Properties

• Melting Point: 157-158℃ (benzene )
• Boiling Point: 584.6±60.0 °C(Predicted)
• Appearance: /
• Density: 1.50±0.1 g/cm3(Predicted)
• PKA: 9.67±0.10(Predicted)
• CAS DataBase Reference: HYDROXYMETHYL CELECOXIB(CAS DataBase Reference)
• NIST Chemistry Reference: HYDROXYMETHYL CELECOXIB(170571-00-3)
• EPA Substance Registry System: HYDROXYMETHYL CELECOXIB(170571-00-3)

Safety Data

• Hazardous Substances Data: 170571-00-3(Hazardous Substances Data)

Usage

Uses

A metabolite of Celecoxib (C251000).

Upstream product

• 170570-75-9 4-[5-(4-bromomethylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl]benzenesulfonamide 
• 7732-18-5 water 
• 122-00-9 para-methylacetophenone 
• 17852-52-7 4-hydrazinobenzene-1-sulfonamide hydrochloride 
• 720-94-5 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione 
• 169590-42-5 4-[5-(4-(methyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulphonamide 

Downstream Products

• 1187877-96-8 4-{1-[4-(aminosulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-5-yl}benzyl nitrate 

Relevant articles and documents

Comparison of celecoxib metabolism and excretion in mouse, rabbit, dog, cynomolgus monkey and rhesus monkey

1. The metabolism and excretion of celecoxib, a specific cyclooxygenase 2 (COX-2) inhibitor, was investigated in mouse, rabbit, the EM (extensive) and PM (poor metabolizer) dog, and rhesus and cynomolgus monkey. 2. Some sex and species differences were ev

Synthesis of Benzylic Alcohols by C-H Oxidation

Selective methylene C-H oxidation for the synthesis of alcohols with a broad scope and functional group tolerance is challenging due to the high proclivity for further oxidation of alcohols to ketones. Here, we report the selective synthesis of benzylic alcohols employing bis(methanesulfonyl) peroxide as an oxidant. We attempt to provide a rationale for the selectivity for monooxygenation, which is distinct from previous work; a proton-coupled electron transfer mechanism (PCET) may account for the difference in reactivity. We envision that our method will be useful for applications in the discovery of drugs and agrochemicals.

Substituted pyrazolyl benzenesulfonamides for use in veterinary therapies

A method of using pyrazolyl benzenesulfonamide compounds in treating inflammation and inflammation-related disorders in companion animals is disclosed.