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2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is a chemical compound with the molecular formula C14H9F3O2S. It is a white to off-white powder that is sparingly soluble in water. 2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is known for its anti-inflammatory properties and is utilized as a building block in the synthesis of pharmaceutical compounds, agrochemicals, dyes, pigments, and other organic compounds. It also plays a role in various biological processes, making it a potential target for drug discovery.

895-45-4

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895-45-4 Usage

Uses

Used in Pharmaceutical Industry:
2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is used as a building block for the synthesis of various pharmaceutical compounds due to its unique chemical structure and properties.
Used in Agrochemical Industry:
In the agrochemical industry, 2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is used as a building block for the synthesis of agrochemicals, contributing to the development of effective products for agricultural applications.
Used in Dye and Pigment Production:
2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is used as an intermediate in the production of dyes and pigments, playing a crucial role in creating a wide range of colors for various industries.
Used in Drug Development for Inflammatory Conditions:
2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is used in the development of drugs for conditions such as rheumatoid arthritis and osteoarthritis, owing to its anti-inflammatory properties.
Used in Drug Discovery:
Due to its role in various biological processes, 2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID is a potential target for drug discovery, with the aim of developing new treatments for various diseases and conditions.
It is important to handle and use 2-[[4-(TRIFLUOROMETHYL)PHENYL]THIO] BENZOIC ACID with caution, as it may be harmful if ingested or inhaled and can cause irritation to the skin and eyes.

Check Digit Verification of cas no

The CAS Registry Mumber 895-45-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 8,9 and 5 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 895-45:
(5*8)+(4*9)+(3*5)+(2*4)+(1*5)=104
104 % 10 = 4
So 895-45-4 is a valid CAS Registry Number.
InChI:InChI=1/C14H9F3O2S/c15-14(16,17)9-5-7-10(8-6-9)20-12-4-2-1-3-11(12)13(18)19/h1-8H,(H,18,19)

895-45-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-[4-(trifluoromethyl)phenyl]sulfanylbenzoic acid

1.2 Other means of identification

Product number -
Other names 2-[[4-(trifluoromethyl)phenyl]thio]benzoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:895-45-4 SDS

895-45-4Downstream Products

895-45-4Relevant academic research and scientific papers

Preparation method of 2-(p-trifluoromethyl thiophenyl)benzoate

-

Paragraph 0015; 0016; 0017; 0018; 0019; 0020; 0021, (2017/09/29)

The invention provides a preparation method of 2-(p-trifluoromethyl thiophenyl)benzoate. The 2-(p-trifluoromethyl thiophenyl)benzoate is obtained by reacting thiosalicylic acid serving as a starting raw material with p-trifluoromethyl chlorobenzene. Compared with the prior art, the preparation method mainly has the advantages: (1) an organic solvent obtained by post-treatment can be recycled, so that the emission of waste water, waste gas and waste solid is reduced, and the production cost is lowered; (2) a water phase obtained by post-treatment can also be recycled, and sodium chloride in the water phase can be recycled after repeated use, so that wastewater is recycled, water resources are saved, and the atom economy is increased; (3) the 2-(p-trifluoromethyl thiophenyl)benzoate content of a synthesized flupentixol intermediate can be 90 percent or more, the highest content can be up to 93 percent, and the content of the 2-(p-trifluoromethyl thiophenyl)benzoate obtained by an original process method is only about 85 percent. The whole process meets the technical requirements of environment-friendly synthesis and clean production, and is suitable for large-scale industrial production.

Novel dengue virus NS2B/NS3 protease inhibitors

Wu, Hongmei,Bock, Stefanie,Snitko, Mariya,Berger, Thilo,Weidner, Thomas,Holloway, Steven,Kanitz, Manuel,Diederich, Wibke E.,Steuber, Holger,Walter, Christof,Hofmann, Daniela,Wei?brich, Benedikt,Spannaus, Ralf,Acosta, Eliana G.,Bartenschlager, Ralf,Engels, Bernd,Schirmeister, Tanja,Bodem, Jochen

supporting information, p. 1100 - 1109 (2015/03/05)

Dengue fever is a severe, widespread, and neglected disease with more than 2 million diagnosed infections per year. The dengue virus NS2B/NS3 protease (PR) represents a prime target for rational drug design. At the moment, there are no clinical PR inhibitors (PIs) available. We have identified diaryl (thio)ethers as candidates for a novel class of PIs. Here, we report the selective and noncompetitive inhibition of the serotype 2 and 3 dengue virus PR in vitro and in cells by benzothiazole derivatives exhibiting 50% inhibitory concentrations (IC50s) in the low-micromolar range. Inhibition of replication of DENV serotypes 1 to 3 was specific, since all substances influenced neither hepatitis C virus (HCV) nor HIV-1 replication. Molecular docking suggests binding at a specific allosteric binding site. In addition to the in vitro assays, a cell-based PR assay was developed to test these substances in a replication-independent way. The new compounds inhibited the DENV PR with IC50s in the low-micromolar or submicromolar range in cells. Furthermore, these novel PIs inhibit viral replication at submicromolar concentrations.

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