651310-81-5

Basic information

• Product Name: 7-benzenesulfonyl-6-methylsulfanyl-4,5,8atriaza-phenanthren-8-ylideneamine monotrifluoroacetate
• Synonyms: 7-benzenesulfonyl-6-methylsulfanyl-4,5,8atriaza-phenanthren-8-ylideneamine monotrifluoroacetate
• CAS NO: 651310-81-5
• Molecular Weight: 496.491
• Mol File: 651310-81-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 7-benzenesulfonyl-6-methylsulfanyl-4,5,8atriaza-phenanthren-8-ylideneamine monotrifluoroacetate(CAS DataBase Reference)
• NIST Chemistry Reference: 7-benzenesulfonyl-6-methylsulfanyl-4,5,8atriaza-phenanthren-8-ylideneamine monotrifluoroacetate(651310-81-5)
• EPA Substance Registry System: 7-benzenesulfonyl-6-methylsulfanyl-4,5,8atriaza-phenanthren-8-ylideneamine monotrifluoroacetate(651310-81-5)

Safety Data

• Hazardous Substances Data: 651310-81-5(Hazardous Substances Data)

Upstream product

• 58092-40-3 2-benzenesulfonyl-3,3-bis(methylsulfanyl)acrylonitrile 
• 76-05-1 trifluoroacetic acid 
• 17965-82-1 8-amino-1,7-naphthyridine 

Relevant articles and documents

Structure activity relationship studies of 3-arylsulfonyl-pyrido[1,2-a] pyrimidin-4-imines as potent 5-HT6 antagonists

Comprehensive structure activity relationship (SAR) studies were conducted on a focused screening hit, 2-(methylthio)-3-(phenylsulfonyl)-4H-pyrido[1,2-a] pyrimidin-4-imine (1, IC50: 4.0 nM), as 5-HT6 selective antagonists. Activity was improved some 2-4 fold when small, electron-donating groups were added to the central core as observed in 19, 20 and 26. Molecular docking of key compounds in a homology model of the human 5-HT6 receptor was used to rationalize our structure-activity relationship (SAR) findings. In pharmacokinetic experiments, compound 1 displayed good brain uptake in rats following intra-peritoneal administration, but limited oral bioavailability.