2054-00-4

Basic information

• Product Name: 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
• Synonyms: 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%
• CAS NO: 2054-00-4
• Molecular Formula: C₁₄H₉F₄NO
• Molecular Weight: 283.2209728
• Mol File: 2054-00-4.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 265.8°C at 760 mmHg
• Flash Point: 114.6°C
• Appearance: /
• Density: 1.374g/cm³
• Vapor Pressure: 0.00896mmHg at 25°C
• Refractive Index: 1.551
• CAS DataBase Reference: 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%(2054-00-4)
• EPA Substance Registry System: 4-Fluoro-N-[3-(trifluoroMethyl)phenyl]benzaMide, 97%(2054-00-4)

Safety Data

• Hazardous Substances Data: 2054-00-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H9F4NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20)

Upstream product

• 403-43-0 4-fluorobenzoyl chloride 
• 98-16-8 3-trifluoromethylaniline 
• 83313-74-0 1-(1-chlorovinyl)-4-fluorobenzene 

Relevant articles and documents

Discovery of the Oral Leukotriene C4 Synthase Inhibitor (1 S,2 S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic Acid (AZD9898) as a New Treatment for Asthma

While bronchodilators and inhaled corticosteroids are the mainstay of asthma treatment, up to 50% of asthmatics remain uncontrolled. Many studies show that the cysteinyl leukotriene cascade remains highly activated in some asthmatics, even those on high-dose inhaled or oral corticosteroids. Hence, inhibition of the leukotriene C4 synthase (LTC4S) enzyme could provide a new and differentiated core treatment for patients with a highly activated cysteinyl leukotriene cascade. Starting from a screening hit (3), a program to discover oral inhibitors of LTC4S led to (1S,2S)-2-({5-[(5-chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid (AZD9898) (36), a picomolar LTC4S inhibitor (IC50 = 0.28 nM) with high lipophilic ligand efficiency (LLE = 8.5), which displays nanomolar potency in cells (peripheral blood mononuclear cell, IC50,free = 6.2 nM) and good in vivo pharmacodynamics in a calcium ionophore-stimulated rat model after oral dosing (in vivo, IC50,free = 34 nM). Compound 36 mitigates the GABA binding, hepatic toxicity signal, and in vivo toxicology findings of an early lead compound 7 with a human dose predicted to be 30 mg once daily.

N-Substituted p-fluorobenzencarboxylamides. Evaluation of in vitro antimicrobial activity

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