651310-83-7

Basic information

• Product Name: 4H-Pyrido[1,2-a]pyrimidine-7-carboxamide, 4-imino-2-(methylthio)-3-(phenylsulfonyl)-, mono(trifluoroacetate)
• CAS NO: 651310-83-7
• Molecular Formula: C16H14N4O3S2.C2HF3O2
• Molecular Weight: 488.468
• Mol File: 651310-83-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 4H-Pyrido[1,2-a]pyrimidine-7-carboxamide, 4-imino-2-(methylthio)-3-(phenylsulfonyl)-, mono(trifluoroacetate)(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-Pyrido[1,2-a]pyrimidine-7-carboxamide, 4-imino-2-(methylthio)-3-(phenylsulfonyl)-, mono(trifluoroacetate)(651310-83-7)
• EPA Substance Registry System: 4H-Pyrido[1,2-a]pyrimidine-7-carboxamide, 4-imino-2-(methylthio)-3-(phenylsulfonyl)-, mono(trifluoroacetate)(651310-83-7)

Safety Data

• Hazardous Substances Data: 651310-83-7(Hazardous Substances Data)

Upstream product

• 329-89-5 6-aminonicotinic amide 
• 58092-40-3 2-benzenesulfonyl-3,3-bis(methylsulfanyl)acrylonitrile 
• 76-05-1 trifluoroacetic acid 

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.