1354972-01-2

Basic information

• Product Name: 1-(allyl(3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
• Synonyms: 1-(allyl(3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
• CAS NO: 1354972-01-2
• Molecular Weight: 507.378
• Mol File: 1354972-01-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(allyl(3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(allyl(3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol(1354972-01-2)
• EPA Substance Registry System: 1-(allyl(3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol(1354972-01-2)

Safety Data

• Hazardous Substances Data: 1354972-01-2(Hazardous Substances Data)

Upstream product

• 1250125-40-6 1-(3-azidopropoxy)-4-bromobenzene 
• 1354972-28-3 3-(4-bromophenoxy)propan-1-amine hydrochloride 
• 1354971-90-6 1-((3-(4-bromophenoxy)propyl)amino)-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol 
• 106-41-2 4-bromo-phenol 
• 7497-87-2 1-bromo-4-(3'-bromopropoxy)benzene 

Relevant articles and documents

Design, synthesis and structure-activity relationships of new triazole derivatives containing N-substituted phenoxypropylamino side chains

The incidence of invasive fungal infections and resistance to antifungal agents is increasing dramatically. It is highly desirable to develop novel azoles with improved biological profiles. The structure-activity relationship (SAR) of the N-substitutions was investigated in this study. In vitro antifungal activities revealed that sterically large groups were not favored for the N-substitutions. The removal of the N-substitutions had little effect on the antifungal activity. Two compounds with free amine group (i.e. 9a and 10a) showed excellent activity with broad antifungal spectrum. The SAR results were supported by molecular docking and the N-substitutions were found to be important for the conformation of the side chains. The SAR and binding mode of the azoles are useful for further lead optimization.