217661-99-9

Basic information

• Product Name: 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one
• Synonyms: 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one;1-(4-FLUOROPHENYL)-2-[2-(METHYLSULFANYL)PYRIMIDIN-4-YL]ETHAN-1-ONE(WXG03368)
• CAS NO: 217661-99-9
• Molecular Formula: C₁₃H₁₁FN₂OS
• Molecular Weight: 262.3026432
• Mol File: 217661-99-9.mol
• Article Data: 19

Chemical Properties

• Melting Point: 88-90 °C
• Boiling Point: 427.8±25.0 °C(Predicted)
• Appearance: /
• Density: 1.30±0.1 g/cm3(Predicted)
• PKA: 0.62±0.20(Predicted)
• CAS DataBase Reference: 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one(217661-99-9)
• EPA Substance Registry System: 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one(217661-99-9)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 217661-99-9(Hazardous Substances Data)

Usage

General Description

1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one is a chemical compound with the molecular formula C13H11FN2OS. It is a yellow solid, often used as an intermediate in organic synthesis. 1-(4-Fluorophenyl)-2-[2-(methylsulfanyl)pyrimidin-4-yl]ethan-1-one is commonly used as a building block for pharmaceuticals and agrochemicals due to its diverse reactivity and broad applicability. It is also used in the production of various fine chemicals, including herbicides and insecticides. Additionally, it may have potential applications in the development of new drugs and medical treatments.

Upstream product

• 14001-63-9 2-methylthio-4-methylpyrimidine 
• 451-46-7 4-fluorobenzoic acid ethyl ester 
• 403-33-8 methyl 4-flurobenzoate 
• 35071-17-1 2-mercapto-6-methylpyrimidine 
• 116332-54-8 4-fluoro-N-methoxy-N-methylbenzamide 

Downstream Products

• 439148-93-3 4-(4-fluoro-phenyl)-5-(2-methylsulfanyl-pyrimidin-4-yl)-1H-imidazole-2-carbaldehyde 
• 218160-26-0 RPR 203494 

Relevant articles and documents

Discovery of Imidazo[1,2- a]pyrazines and Pyrazolo[1,5- c]pyrimidines as TARP γ-8 Selective AMPAR Negative Modulators

This report discloses the discovery and characterization of imidazo[1,2-a]pyrazines and pyrazolo[1,5-c]pyrimidines as selective negative modulators of α-amino-3-hydroxy-5-methylisoxazole-4-propionate receptors (AMPARs) associated with transmembrane AMPAR regulatory protein γ-8. Imidazopyrazine 5 was initially identified as a promising γ-8 selective high-throughput screening hit, and subsequent structure-activity relationship optimization yielded subnanomolar, brain penetrant leads. Replacement of the imidazopyrazine core with an isosteric pyrazolopyrimidine scaffold improved microsomal stability and efflux liabilities to provide 26, JNJ-61432059. Following oral administration, 26 exhibited time- and dose-dependent AMPAR/γ-8 receptor occupancy in mouse hippocampus, which resulted in robust seizure protection in corneal kindling and pentylenetetrazole (PTZ) anticonvulsant models.

IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS

Provided herein are compounds of Formula (I), and pharmaceutically acceptable salts, N-oxides, or solvates thereof, [Formula should be inserted here] Also provided herein are pharmaceutical compositions, comprising compounds of Formula (I), and methods of

Pyrazolopyrimidines and pyrazolotriazines with potent activity against herpesviruses

Synthesis of several pyrazolo[1,5-c]pyrimidines, pyrazolo[1,5-a]pyrimidines and pyrazolo[1,5-a][1,3,5]triazines with potent activity against herpes simplex viruses is described. Synthetic approaches allowing for variation of the substitution pattern are o