302912-43-2

Basic information

• Product Name: 4-FLUORO-3-TRIFLUOROMETHYLPHENYL ISOTHI&
• Synonyms: 4-FLUORO-3-TRIFLUOROMETHYLPHENYL ISOTHI&;Benzene, 1-fluoro-4-isothiocyanato-2-(trifluoromethyl)- (9CI);1-fluoro-4-isothiocyanato-2-(trifluoromethyl)benzene
• CAS NO: 302912-43-2
• Molecular Formula: C₈H₃F₄NS
• Molecular Weight: 221.1747328
• Product Categories: ISOTHIOCYANATE;Organic Building Blocks;Sulfur Compounds;Thiocyanates/Isothiocyanates
• Mol File: 302912-43-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 216-222 °C(lit.)
• Flash Point: 225 °F
• Appearance: /
• Density: 1.42 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0379mmHg at 25°C
• Refractive Index: n20/D 1.544(lit.)
• CAS DataBase Reference: 4-FLUORO-3-TRIFLUOROMETHYLPHENYL ISOTHI&(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-3-TRIFLUOROMETHYLPHENYL ISOTHI&(302912-43-2)
• EPA Substance Registry System: 4-FLUORO-3-TRIFLUOROMETHYLPHENYL ISOTHI&(302912-43-2)

Safety Data

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-27-36/37/39-45
• RIDADR: UN 1760 8/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 302912-43-2(Hazardous Substances Data)

Usage

InChI:InChI=1/C8H3F4NS/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H

Upstream product

• 2357-47-3 4-Fluoro-3-trifluoromethylaniline 
• 75-15-0 carbon disulfide 

Relevant articles and documents

Design and discovery of quinazoline- and thiourea-containing sorafenib analogs as EGFR and VEGFR-2 dual TK inhibitors

Both EGFR and VEGFR-2 play a critical role in tumor growth, angiogenesis and metastasis, and targeting EGFR and VEGFR-2 simultaneously represents a promising approach to cancer treatment. In this work, a series of novel quinazoline- and thiourea-containing sorafenib analogs (10a–v) were designed and synthesized as EGFR and VEGFR-2 dual TK inhibitors. Their in vitro enzymatic inhibitory activities against EGFR and VEGFR-2, and antiproliferative activities against HCT-116, MCF-7 and B16 cell lines were evaluated and described. Most of the compounds showed potent activities against both cell lines and TK kinases. Compounds 10b and 10q which exhibited the most potent inhibitory activities against EGFR (IC50 = 0.02 μM and 0.01 μM, respectively), VEGFR-2 (IC50 = 0.05 μM and 0.08 μM, respectively), and good antiproliferative activities, also displayed competitive anti-tumor activities than sorafenib in vivo by B16 melanoma xenograft model test.

A block containing nicotinamide diphenyl thiourea compound and its salt preparation method and use of

The invention relates to a diphenyl thiourea compound containing niacinamide building blocks and salt of the diphenyl thiourea compound. The chemical structure of the diphenyl thiourea compound is as shown in the description. The diphenyl thiourea compound and the salt, pharmaceutically acceptable, of the diphenyl thiourea compound have inhibiting effects on various tumour cell strains and can serve as effective components for preparing tumour treatment medicine.

Synthesis and biological evaluation of terminal functionalized thiourea-containing dipeptides as antitumor agents

A series of antitumor agents based on terminal functionalized dipeptide derivatives containing the thiourea moiety were synthesized and evaluated for antiproliferative activity using a panel of cancer cell lines, and the effects and mechanism of apoptosis induction were determined. These compounds exhibited significant selectivity to different cancer cell lines with IC50 values at micromolar concentrations. In particular, compound I-11 appeared to be the most potent compound, with an IC50 = 4.85 ± 1.44 μM against the NCI-H460 cell line, at least partly, by the induction of apoptosis. Mechanistically, compound I-11 induced the activation of caspase-12 and CHOP, which triggered apoptotic signalling via the ROS-dependent endoplasmic reticulum pathway and arrested the cell cycle at the S phase. Thus, we concluded that dipeptide derivatives containing the thiourea moiety terminally functionalized by electron-withdrawing substituents may be potential antitumor agents for further investigation.