955947-86-1

Basic information

• Product Name: 1-bromo-3-isothiocyanato-5-(trifluoromethyl)benzene
• Synonyms: 1-bromo-3-isothiocyanato-5-(trifluoromethyl)benzene
• CAS NO: 955947-86-1
• Molecular Weight: 282.084
• Mol File: 955947-86-1.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1-bromo-3-isothiocyanato-5-(trifluoromethyl)benzene(CAS DataBase Reference)
• NIST Chemistry Reference: 1-bromo-3-isothiocyanato-5-(trifluoromethyl)benzene(955947-86-1)
• EPA Substance Registry System: 1-bromo-3-isothiocyanato-5-(trifluoromethyl)benzene(955947-86-1)

Safety Data

• Hazardous Substances Data: 955947-86-1(Hazardous Substances Data)

Upstream product

• 54962-75-3 [3-bromo-5-(trifluoromethyl)phenyl]amine 
• 463-71-8 thiophosgene 

Downstream Products

• 955953-37-4 2-(3-bromo-5-trifluoromethyl-phenylthiocarbamoyl)-2-cyano-acetamide 

Relevant articles and documents

Discovery of novel anti-angiogenesis agents. Part 6: Multi-targeted RTK inhibitors

Angiogenesis is modulated by a multitude of pro-angiogenic factors including VEGFR-2, Tie-2, and EphB4. Moreover, their crosstalk also had been well elaborated. We have identified several diarylurea-based VEGFR-2 inhibitors as potential anti-angiogenesis agents. As a continuation to our previous research, two series of diaryl malonamide and diaryl thiourea derivatives have been developed as multiplex VEGFR-2/Tie-2/EphB4 inhibitors. Interestingly, the biological evaluation indicated that several compounds bearing trifluoromethyl or trifluoromethoxyl exhibited promising multiplex inhibition against angiogenesis-related VEGFR-2, Tie-2, and EphB4. The representative compound (18a) displayed both potent multi-targeted RTK inhibition and considerable antiproliferative activities against human umbilical vein endothelial cells (EA.hy926). These results will contribute to the discovery of novel muti-targeted anti-angiogenesis agents.

Isothiazoles as active-site inhibitors of HCV NS5B polymerase

Isothiazole analogs were discovered as a novel class of active-site inhibitors of HCV NS5B polymerase. The best compound has an IC50 of 200 nM and EC50 of 100 nM, which is a significant improvement over the starting inhibitor (1). The X-ray complex structure of 1 with HCV NS5B was obtained at a resolution of 2.2 A, revealing that the inhibitor is covalently linked with Cys 366 of the 'primer-grip'. Furthermore, it makes considerable contacts with the C-terminus, β-loop, and more importantly, to the active-site of the enzyme. The uniqueness of this binding mode offers a new insight for the rational design of novel inhibitors for HCV NS5B polymerase.