1271724-76-5

Basic information

• Product Name: C₃₁H₂₅N₃
• Synonyms: C₃₁H₂₅N₃
• CAS NO: 1271724-76-5
• Molecular Weight: 439.56
• Mol File: 1271724-76-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₃₁H₂₅N₃(CAS DataBase Reference)
• NIST Chemistry Reference: C₃₁H₂₅N₃(1271724-76-5)
• EPA Substance Registry System: C₃₁H₂₅N₃(1271724-76-5)

Safety Data

• Hazardous Substances Data: 1271724-76-5(Hazardous Substances Data)

Upstream product

• 766-96-1 4-bromo-1-ethynylbenzene 
• 1271724-98-1 4-(4-bromo-phenyl)-1-(3-phenyl-propyl)-1H-[1,2,3]triazole 
• 68572-87-2 9-phenanthrenylboronic acid 
• 637-59-2 1-Bromo-3-phenylpropane 

Relevant articles and documents

Structure-based discovery of inhibitors of microsomal prostaglandin E 2 synthase-1, 5-lipoxygenase and 5-lipoxygenase-activating protein: Promising hits for the development of new anti-inflammatory agents

Microsomal prostaglandin E2 synthase (mPGES)-1 catalyzes the transformation of PGH2 to PGE2 that is involved in several pathologies like fever, pain, and inflammatory disorders. To identify novel mPGES-1 inhibitors, we used in silico screening to rapidly direct the synthesis, based on the copper-catalyzed 3 + 2 Huisgen's reaction (click chemistry), of potential inhibitors. We designed 26 new triazole-based compounds in accordance with the pocket binding requirements of human mPGES-1. Docking results, in agreement with ligand efficiency values, suggested the synthesis of 15 compounds that at least in theory were shown to be more efficient in inhibiting mPGES-1. Biological evaluation of these selected compounds has disclosed three new potential anti-inflammatory drugs: (I) compound 4 displaying selectivity for mPGES-1 with an IC50 value of 3.2 μ-M, (II) compound 20 that dually inhibits 5-lipoxygenase and mPGES-1, and (III) compound 7 apparently acting as 5-lipoxygenase-activating protein inhibitor (IC50 = 0.4 μ-M).