52794-59-9

Basic information

• Product Name: 3-(trifluoromethyl)phenylmethyl isocyanate
• Synonyms: 3-(trifluoromethyl)phenylmethyl isocyanate
• CAS NO: 52794-59-9
• Molecular Weight: 201.148
• Mol File: 52794-59-9.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 3-(trifluoromethyl)phenylmethyl isocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(trifluoromethyl)phenylmethyl isocyanate(52794-59-9)
• EPA Substance Registry System: 3-(trifluoromethyl)phenylmethyl isocyanate(52794-59-9)

Safety Data

• Hazardous Substances Data: 52794-59-9(Hazardous Substances Data)

Upstream product

• 2740-83-2 3-(TRIFLUOROMETHYL)BENZYLAMINE 
• 503-38-8 trichloromethyl chloroformate 
• 351-35-9 3-(trifluoromethyl)phenylacetic acid 
• 368-77-4 3-trifluoromethylbenzonitrile 

Downstream Products

• 1202810-97-6 C₂₇H₂₂F₃N₇O 
• 1421053-98-6 1-(3-(trifluoromethyl)benzyl)-4-(1-(4-methoxybenzyl)-5-amino-1H-imidazol-4-yl)-5-imino-1H-imidazol-2(5H)-one 
• 1421053-76-0 C₂₃H₁₇F₃N₆O₂ 
• 102422-32-2 C₉H₇F₃NO₄S^(1-)*K⁽¹⁺⁾ 
• 102422-34-4 Imidazole-1-carboxylic acid 3-trifluoromethyl-benzylamide 

Relevant articles and documents

Structure-based drug design and potent anti-cancer activity of tricyclic 5:7:5-fused diimidazo[4,5-d:4′,5′-f][1,3]diazepines

Judicial structural modifications of 5:7-fused ring-expanded nucleosides (RENs), based on molecular modeling studies with one of its known targets, human RNA helicase (hDDX3), led to the lead, novel, 5:7-5-fused tricyclic heterocycle (1). The latter exhibited promising broad-spectrum in vitro anti-cancer activity against a number of cancer cell lines screened. This paper describes our systematic, albeit limited, structure-activity relationship (SAR) studies on this lead compound, which produced a number of analogs with broad-spectrum in vitro anti-cancer activities against lung, breast, prostate, and ovarian cancer cell lines, in particular compounds 15i, 15j, 15m and 15n which showed IC 50 values in submicromolar to micromolar range, and are worthy of further explorations. The SAR data also enabled us to propose a tentative SAR model for future SAR efforts for ultimate realization of optimally active and minimally toxic anti-cancer compounds based on the diimidazo[4,5-d:4′, 5′-f][1,3]diazepine structural skeleton of the lead compound 1.

Inactivation of Leukocyte Elastase by Aryl Azolides and Sulfonate Salts. Structure-Activity Relationship Studies

The inhibitory activity of a series of aryl azolides and sulfonate salts toward human leukocyte elastase is reported.Several of the compounds were found to be potent inhibitors of the enzyme.Active compounds were obtained only when the specificity group and the reactive moiety were separated by a two-carbon chain.The introduction of hydrophobic groups enhanced the inhibitory activity of these compounds, with the exception of the sulfonate salts.The nature of the leaving group had had a profound effect on inhibitory activity, with compounds 23 and 26 being the most active (kobsd/ = 11722 and 13500 M-1 s-1, respectively).