1403226-62-9

Basic information

• Product Name: C₁₆H₁₃ClFN₃O₂
• CAS NO: 1403226-62-9
• Molecular Weight: 333.75
• Mol File: 1403226-62-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₃ClFN₃O₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₃ClFN₃O₂(1403226-62-9)
• EPA Substance Registry System: C₁₆H₁₃ClFN₃O₂(1403226-62-9)

Safety Data

• Hazardous Substances Data: 1403226-62-9(Hazardous Substances Data)

Upstream product

• 220991-20-8 lumiracoxib 
• 1403226-56-1 2-[(2-chloro-6-fluorophenyl)amino]-5-methylbenzeneacetonitrile 
• 619296-47-8 2-[(2-chloro-6-fluorophenyl)amino]-5-methyl-benzoic acid 
• 313545-32-3 (2-chloro-6-fluorophenyl)boronic acid 
• 2941-78-8 2-Amino-5-methylbenzoic acid 
• 1175086-67-5 2-[(2-chloro-6-fluorophenyl)amino]-5-methylbenzeneacetic acid methyl ester 

Relevant articles and documents

Designing Multitarget Anti-inflammatory Agents: Chemical Modulation of the Lumiracoxib Structure toward Dual Thromboxane Antagonists-COX-2 Inhibitors

A series of lumiracoxib derivatives were designed to explore the influence of isosteric substitution on balancing COX-2 inhibition and thromboxane A2 prostanoid (TP) receptor antagonism. The compounds were synthesized through a copper-catalyzed coupling procedure and characterized for their pKa values. TP receptor antagonism was assessed on human platelets; COX-2 inhibition was determined on human isolated monocytes and human whole blood. TPα receptor binding of the most promising compounds was evaluated through radioligand binding assays. Some of the isosteric substitutions at the carboxylic acid group afforded compounds with improved TP receptor antagonism; of these, a tetrazole derivative retained good COX-2 inhibitory activity and selectivity. The identification of this tetrazole acting as a balanced dual-acting compound in human whole blood, along with SAR analysis of the synthesized lumiracoxib derivatives, might contribute to the rational design of a new class of cardioprotective anti-inflammatory agents.