952182-78-4

Basic information

• Product Name: 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride
• Synonyms: 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride;2-[3-(Trifluoromethyl)phenyl]thioacetamide
• CAS NO: 952182-78-4
• Molecular Formula: C₉H₈F₃NS
• Molecular Weight: 219.2267296
• Mol File: 952182-78-4.mol
• Article Data: 2

Chemical Properties

• Melting Point: 78～80℃
• Appearance: /
• CAS DataBase Reference: 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride(952182-78-4)
• EPA Substance Registry System: 2-[3-(Trifluoromethyl)phenyl]ethanethioamide, 3-(2-Amino-2-thioxoethyl)benzotrifluoride(952182-78-4)

Safety Data

• Hazardous Substances Data: 952182-78-4(Hazardous Substances Data)

Usage

Properties

Different sources of media describe the Properties of 952182-78-4 differently. You can refer to the following data:
1. Organic thioamide, contains a trifluoromethylphenyl group
2. Thioamide derivative, contains an aminothioxoethyl group

Application

Different sources of media describe the Application of 952182-78-4 differently. You can refer to the following data:
1. Used in the synthesis of pharmaceuticals and agrochemicals

2. Used in the production of pharmaceuticals and agrochemicals

Upstream product

• 2338-76-3 3-trifluoromethylphenylacetonitrile 

Downstream Products

• 451485-52-2 2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-5-carboxylic acid 
• 959708-46-4 4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-5-carboxylic acid 
• 1318754-71-0 1-methyl-N-{4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}-1H-pyrazole-5-carboxamide 
• 1318757-61-7 4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-5-carboxylic acid 
• 1318757-63-9 4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-5-amine 
• 1318754-73-2 tert-butyl 3-({4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}carbamoyl)pyrrolidine-1-carboxylate 
• 1318754-78-7 3-methyl-N-{4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}isoxazole-4-carboxamide 
• 1318754-80-1 2,5-dimethyl-N-{4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}furan-3-carboxamide 
• 1318757-66-2 tert-butyl 3-({4-methyl-2-[3-(trifluoromethyl)benzyl)-1,3-thiazol-5-yl}carbamoyl)piperidine-1-carboxylate 
• 1318757-67-3 tert-butyl 4-({4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazol-5-yl}carbamoyl)piperidine-1-carboxylate 
• 1318757-68-4 4-methyl-2-[3-(trifluoromethyl)benzyl]-1,3-thiazole-5-amine 

Relevant articles and documents

Design, synthesis, and pharmacological evaluation of 4-azolyl-benzamide derivatives as novel GPR52 agonists

G protein-coupled receptor 52 (GPR52) agonists are expected to improve the symptoms of psychiatric disorders. During exploration for a novel class of GPR52 agonists with good pharmacokinetic profiles, we synthesized 4-(3-(3-fluoro-5-(trifluoromethyl)benzyl)-5-methyl-1H-1,2,4-triazol-1-yl)-2-methylbenzamide (4u; half maximal effective concentration (EC50)?=?75?nM, maximal response (Emax)?=?122%) starting from a high-throughput screening hit 3 (EC50?=?470?nM, Emax?=?56%). The structural features of a reported GPR52 agonist were applied to 3, led to design 4-azolylbenzamides as novel GPR52 agonists. A structure–activity relationship study of 4-azolylbenzamide resulted in the design of the 1,2,4-triazole derivative 4u, which demonstrated excellent bioavailability in rats (F?=?53.8%). Oral administration of 4u (10?mg/kg) significantly suppressed methamphetamine-induced hyperlocomotion in mice. Thus, 4u is a promising lead compound for drug discovery research of GPR52 agonists.