331943-04-5

Basic information

• Product Name: N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib
• Synonyms: N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib;4-[3-(4-Methylphenyl)-5-(trifluoroMethyl)-1H-pyrazol-1-yl]benzenesulfonaMide;BenzenesulfonaMide, 4-[3-(4-Methylphenyl)-5-(trifluoroMethyl)-1H-pyrazol-1-yl]-;Celecoxib Related CoMpound B;Celecoxib Related Compound B (10 mg) (4-[3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide);N-De(4-sulfonamidophenyl)-Na€-(4-sulfonamidophenyl) Celecoxib;Celecoxib EP Impurity B (CelecoxibregioIsomer)
• CAS NO: 331943-04-5
• Molecular Formula: C₁₇H₁₄F₃N₃O₂S
• Molecular Weight: 381.3721696
• Product Categories: Aromatics;Heterocycles;Impurities;Inhibitors;Intermediates & Fine Chemicals;Pharmaceuticals
• Mol File: 331943-04-5.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 529.0±60.0 °C(Predicted)
• Appearance: /
• Density: 1.43±0.1 g/cm3(Predicted)
• Storage Temp.: Refrigerator
• Solubility: DMSO (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: 9.68±0.10(Predicted)
• CAS DataBase Reference: N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib(CAS DataBase Reference)
• NIST Chemistry Reference: N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib(331943-04-5)
• EPA Substance Registry System: N-De(4-sulfonaMidophenyl)-N'-(4-sulfonaMidophenyl) Celecoxib(331943-04-5)

Safety Data

• Hazardous Substances Data: 331943-04-5(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

Different sources of media describe the Uses of 331943-04-5 differently. You can refer to the following data:
1. N-De(4-sulfonamidophenyl)-N’-(4-sulfonamidophenyl) Celecoxib (Celecoxib EP Impurity B) is an isomeric impurity of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2. USP Celecoxib Related Compound B
2. An isomeric impurity of Celecoxib (C251000) with selective inhibitory activity against human cyclooxygenase-2.

Upstream product

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Relevant articles and documents

Synthesis and Spectral Characterization of Impurities of a COX-2 Selective Drug, Celecoxib

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Solvent- and transition metal catalyst-dependent regioselectivity in the [3+2]cyclocondensation of trifluoromethyl-α,β-ynones with hydrazines: Switchable access to 3- and 5-trifluoromethylpyrazoles

The regioselectivity of the [3+2]cyclocondensation of trifluoromethyl-α,β-ynones with hydrazines can be readily tuned to preferentially afford either 3- or 5-trifluoromethylpyrazoles through variation of the reaction conditions. Under catalysis with copper(II) acetate (2.0 mol%), cyclocondensation proceeded smoothly to yield 3-trifluoromethylpyrazoles with high regioselectivity. In contrast, when the reaction was conducted in dimethyl sulfoxide under catalyst-free conditions, the formation of 5-trifluoromethylpyrazoles was predominantly observed.

An improved and scalable process for celecoxib: A selective cyclooxygenase-2 inhibitor

An improved, scalable and commercially viable process is developed for an active pharmaceutical ingredient, celecoxib.