1374829-47-6

Basic information

• Product Name: 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine
• Synonyms: 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine;2-chloro-N-ethyl-5-(trifluoromethyl)-4-Pyrimidinamine;2-chloro-N-ethyl-5-(trifluoromethyl)pyrimidin-4-amine
• CAS NO: 1374829-47-6
• Molecular Formula: C₇H₇ClF₃N₃
• Molecular Weight: 225.5987896
• Mol File: 1374829-47-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 319.1±42.0 °C(Predicted)
• Appearance: /
• Density: 1.434±0.06 g/cm3(Predicted)
• PKA: 0.63±0.10(Predicted)
• CAS DataBase Reference: 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine(1374829-47-6)
• EPA Substance Registry System: 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine(1374829-47-6)

Safety Data

• Hazardous Substances Data: 1374829-47-6(Hazardous Substances Data)

Usage

General Description

4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine is a chemical compound with the molecular formula C7H8ClF3N4. It is a derivative of pyrimidine and contains a chlorine atom, an ethyl group, and a trifluoromethyl group. 4-chloro-N-ethyl-5-(trifluoroMethyl)pyriMidin-2-aMine has potential applications in the pharmaceutical and agrochemical industries, as it can be used as an intermediate in the synthesis of various biologically active compounds. Its unique structure and properties make it a valuable building block for the development of new drugs or pesticides. However, it is important to handle and use this chemical with care, following proper safety protocols and guidelines.

Upstream product

• 75-04-7 ethylamine 
• 3932-97-6 2,4-dichloro-5-trifluoromethylpyrimidine 
• 1093847-73-4 (2-chloro-5-iodo-pyrimidin-4-yl)-ethyl-amine 
• 81290-20-2 (trifluoromethyl)trimethylsilane 

Downstream Products

• 1401423-19-5 (5-chloro-4-(4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-2-methoxyphenyl)(perdeuteromorpholino)methanone 
• 1351761-44-8 GNE-7915 
• 1401423-27-5 4-(4-ethylamino-5-(trifluoromethyl)pyrimidin-2-ylamino)-2-fluoro-N-(2-hydroxy-2-methyl-propyl)-5-methoxy-benzamide 
• 1401423-42-4 4-aminomethyl-2-chloro-5-trifluoromethylpyrimidine 
• 1401423-43-5 4‐((4‐(ethylamino)‐5‐(trifluoromethyl)pyrimidin‐2‐yl)amino)‐2‐fluoro‐5‐methoxybenzoic acid 
• 1351760-37-6 [5-chloro-4-(4-ethylamino-5-trifluoromethylpyrimidin-2-ylamino)-2-methoxyphenyl]morpholin-4-ylmethanone 

Relevant articles and documents

COMPOUNDS, COMPOSITIONS, AND METHODS

The present disclosure relates generally to LRRK2 inhibitors, or a pharmaceutically acceptable salt, deuterated analog, prodrug, tautomer, stereoisomer, or mixture of stereoisomers thereof, and methods of making and using thereof.

Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors

There is a high demand for potent, selective, and brain-penetrant small molecule inhibitors of leucine-rich repeat kinase 2 (LRRK2) to test whether inhibition of LRRK2 kinase activity is a potentially viable treatment option for Parkinson's disease patients. Herein we disclose the use of property and structure-based drug design for the optimization of highly ligand efficient aminopyrimidine lead compounds. High throughput in vivo rodent cassette pharmacokinetic studies enabled rapid validation of in vitro-in vivo correlations. Guided by this data, optimal design parameters were established. Effective incorporation of these guidelines into our molecular design process resulted in the discovery of small molecule inhibitors such as GNE-7915 (18) and 19, which possess an ideal balance of LRRK2 cellular potency, broad kinase selectivity, metabolic stability, and brain penetration across multiple species. Advancement of GNE-7915 into rodent and higher species toxicity studies enabled risk assessment for early development.