1331741-14-0

Basic information

• Product Name: 4-(2-(3-bromo-4-hydroxyphenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl)benzonitrile
• Synonyms: 4-(2-(3-bromo-4-hydroxyphenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl)benzonitrile
• CAS NO: 1331741-14-0
• Molecular Weight: 369.22
• Mol File: 1331741-14-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-(2-(3-bromo-4-hydroxyphenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-(3-bromo-4-hydroxyphenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl)benzonitrile(1331741-14-0)
• EPA Substance Registry System: 4-(2-(3-bromo-4-hydroxyphenyl)-1-(1H-1,2,4-triazol-1-yl)ethyl)benzonitrile(1331741-14-0)

Safety Data

• Hazardous Substances Data: 1331741-14-0(Hazardous Substances Data)

Upstream product

• 112809-25-3 4-((1H-1,2,4-triazole-1-yl)methyl)benzonitrile 
• 1000604-44-3 (2-bromo-4-chloromethylphenoxy)triisopropylsilylane 
• 1000603-94-0 (3-bromo-4-(triisopropylsilyloxy)phenyl)methanol 
• 1000603-83-7 3-bromo-4-(triisopropylsilyloxy)benzaldehyde 

Downstream Products

• 1331740-61-4 2-bromo-4-(2-(4-cyanophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)phenyl sulfamate 

Relevant articles and documents

Aromatase and Dual Aromatase-Steroid Sulfatase Inhibitors from the Letrozole and Vorozole Templates

Concurrent inhibition of aromatase and steroid sulfatase (STS) may provide a more effective treatment for hormone-dependent breast cancer than monotherapy against individual enzymes, and several dual aromatase-sulfatase inhibitors (DASIs) have been reported. Three aromatase inhibitors with sub-nanomolar potency, better than the benchmark agent letrozole, were designed. To further explore the DASI concept, a new series of letrozole-derived sulfamates and a vorozole-based sulfamate were designed and biologically evaluated in JEG-3 cells to reveal structure-activity relationships. Amongst achiral and racemic compounds, 2-bromo-4-(2-(4-cyanophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl)phenyl sulfamate is the most potent DASI (aromatase: IC50=0.87nM; STS: IC50=593nM). The enantiomers of the phenolic precursor to this compound were separated by chiral HPLC and their absolute configuration determined by X-ray crystallography. Following conversion to their corresponding sulfamates, the S-(+)-enantiomer was found to inhibit aromatase and sulfatase most potently (aromatase: IC50=0.52nM; STS: IC50=280nM). The docking of each enantiomer and other ligands into the aromatase and sulfatase active sites was also investigated.