338758-69-3

Basic information

• Product Name: 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE
• Synonyms: 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE;BUTTPARK 27\01-88;3-Chloro-5-(trifluoroMethyl)picolinaMide;3-Chloro-5-(trifluoromethyl)pyridine-2-carboxamide
• CAS NO: 338758-69-3
• Molecular Formula: C₇H₄ClF₃N₂O
• Molecular Weight: 224.57
• Mol File: 338758-69-3.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 250℃
• Flash Point: 105℃
• Appearance: /
• Density: 1.529
• Storage Temp.: 2-8°C
• PKA: 13.80±0.50(Predicted)
• CAS DataBase Reference: 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE(338758-69-3)
• EPA Substance Registry System: 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE(338758-69-3)

Safety Data

• Hazardous Substances Data: 338758-69-3(Hazardous Substances Data)

Usage

General Description

3-Chloro-5-(trifluoromethyl)-2-pyridinecarboxamide, also known by its chemical formula C7H4ClF3N2O, is a synthetic organic compound that belongs to the class of pyridinecarboxamides. 3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINECARBOXAMIDE is commonly used in the pharmaceutical industry for its potential biological activities, such as antifungal and antibacterial properties. It has also been studied for its potential use in agrochemicals as a pesticide or herbicide. Additionally, it has been used as a building block in the synthesis of various other compounds. This chemical's unique structure, featuring a chlorine atom and a trifluoromethyl group, makes it a valuable component in the development of new pharmaceuticals and agrochemicals.

Upstream product

• 80194-68-9 3-chloro-5-trifluoromethylpyridine-2-carboxylic acid 
• 80194-72-5 3-chloro-5-trifluoromethyl-2-pyridinecarboxylic acid chloride 

Relevant articles and documents

Design, Synthesis, and Mechanism of Antiviral Acylurea Derivatives Containing a Trifluoromethylpyridine Moiety

Novel acylurea derivatives 7a-7ab were designed and synthesized by linking the active substructures trifluoromethylpyridine and anthranilic diamide via an acylurea bridge. Most of the title compounds exhibited good activity against tobacco mosaic virus (TMV), particularly compound 7x (EC50 of 211.8 μg/mL), which showed much higher curative activity than ningnanmycin (EC50 of 389.8 μg/mL), and compound 7ab, which showed excellent inactivation activity (EC50 of 36.1 μg/mL), similar to ningnanmycin (EC50 of 23.2 μg/mL). The preliminary mechanism of these derivatives was investigated. Autodocking analysis revealed that compounds 7x and 7ab had good affinity for TMV coat protein (TMV CP), with low binding energies (-7.86 and -8.59 kcal/mol) comparable to ningnanmycin (-8.75 kcal/mol). Molecular dynamics simulation showed that compound 7x had a stable system structure with a better binding free energy (-32.94 kcal/mol) than ningnanmycin (-25.62 kcal/mol). Microscale thermophoresis showed that compound 7x bound more strongly to TMV CP (Kd of 19.8 ± 7.3 μM) than ningnanmycin (Kd of 21.2 ± 7.3 μM). Transmission electron microscopy and self-assembly experiments demonstrated that compounds 7x and 7ab significantly obstructed the self-assembly of TMV RNA and TMV CP. This new acylurea derivative has excellent antiviral activity by targeting TMV CP and inhibiting TMV self-assembly and can be considered a candidate for antiviral applications.

PERFLUORINATED 5,6-DIHYDRO-4H-1,3-OXAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE

The present invention provides a new class of compounds useful for the modulation of beta-secretase enzyme (BACE) activity. The compounds have a general Formula I: wherein variables A4, A5, A6, A8, each of R1 and R2, R3 and R7 of Formula I, independently, are defined herein. The invention also provides pharmaceutical compositions comprising the compounds, and corresponding uses of the compounds and compositions for treatment of disorders and/or conditions related to A-beta plaque formation and deposition, resulting from the biological activity of BACE. Such BACE mediated disorders include, for example, Alzheimer's Disease, cognitive deficits, cognitive impairments, schizophrenia and other central nervous system conditions. The invention further provides compounds of Formulas II and III, and sub-formula embodiments thereof, intermediates and processes and methods useful for the preparation of compounds of Formulas I-III.