1388021-42-8

Basic information

• Product Name: 4-(2-((4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methylamino)pyridin-4-yl)-3-methylbenzonitrile
• Synonyms: 4-(2-((4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methylamino)pyridin-4-yl)-3-methylbenzonitrile
• CAS NO: 1388021-42-8
• Molecular Weight: 484.988
• Mol File: 1388021-42-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 4-(2-((4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methylamino)pyridin-4-yl)-3-methylbenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-((4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methylamino)pyridin-4-yl)-3-methylbenzonitrile(1388021-42-8)
• EPA Substance Registry System: 4-(2-((4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methylamino)pyridin-4-yl)-3-methylbenzonitrile(1388021-42-8)

Safety Data

• Hazardous Substances Data: 1388021-42-8(Hazardous Substances Data)

Upstream product

• 92288-93-2 ethyl 2,4-dioxo-4-(pyridin-2-yl)butanoate 
• 84249-14-9 2-amino-4-bromopyridine 
• 313546-18-8 (4-cyano-2-methylphenyl)boronic acid 
• 1388021-41-7 4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-3-carbaldehyde 
• 1224740-91-3 4-(2-aminopyridin-4-yl)-3-methylbenzonitrile 
• 1388021-40-6 (4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-3-yl)methanol 
• 1388021-39-3 ethyl 4-chloro-5-(pyridin-2-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-3-carboxylate 
• 1036888-36-4 ethyl 4-chloro-5-(pyridin-2-yl)-1H-pyrazole-3-carboxylate 
• 1122-62-9 2-acetylpyridine 

Relevant articles and documents

Discovery of phenylaminopyridine derivatives as novel HIV-1 non-nucleoside reverse transcriptase inhibitors

We identified a novel class of aryl-substituted triazine compounds as potent non-nucleoside reverse transcriptase inhibitors (NNRTIs) during a high-throughput screening campaign that evaluated more than 200000 compounds for antihuman immunodeficiency virus (HIV) activity using a cell-based full replication assay. Herein, we disclose the optimization of the antiviral activity in a cell-based assay system leading to the discovery of compound 27, which possessed excellent potency against wild-type HIV-1 (EC50 = 0.2 nM) as well as viruses bearing Y181C and K103N resistance mutations in the reverse transcriptase gene. The X-ray crystal structure of compound 27 complexed with wild-type reverse transcriptase confirmed the mode of action of this novel class of NNRTIs. Introduction of a chloro functional group in the pyrazole moiety dramatically improved hERG and CYP inhibition profiles, yielding highly promising leads for further development.