1613029-44-9

Basic information

• Product Name: C₂₆H₃₀N₄O₄S
• CAS NO: 1613029-44-9
• Molecular Weight: 494.615
• Mol File: 1613029-44-9.mol

Chemical Properties

• CAS DataBase Reference: C₂₆H₃₀N₄O₄S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₆H₃₀N₄O₄S(1613029-44-9)
• EPA Substance Registry System: C₂₆H₃₀N₄O₄S(1613029-44-9)

Safety Data

• Hazardous Substances Data: 1613029-44-9(Hazardous Substances Data)

Upstream product

• 898227-84-4 ethyl 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinate 
• 898227-85-5 6-(4-(tert-butoxycarbonyl)piperidin-1-yl)-5-cyano-2-methylnicotinic acid 
• 138007-24-6 4-tert-butyl piperidine-4-carboxylate 
• 64119-42-2 ethyl 6-chloro-5-cyano-2-methylnicotinate 
• 646051-96-9 1-phenylcyclopropane-1-sulfonamide 
• 1204588-80-6 1-(5-butyryl-3-cyano-6-methylpyridin-2-yl)piperidine-4-carboxylic acid 
• 1204588-78-2 tert-butyl 1-[5-(chlorocarbonyl)-3-cyano-6-methylpyridin-2-yl]piperidine-4-carboxylate 

Relevant articles and documents

Optimization of ketone-based P2Y12 receptor antagonists as antithrombotic agents: Pharmacodynamics and receptor kinetics considerations

Modification of a series of P2Y12 receptor antagonists by replacement of the ester functionality was aimed at minimizing the risk of in vivo metabolic instability and pharmacokinetic variability. The resulting ketones were then optimized for their P2Y12 antagonistic and anticoagulation effects in combination with their physicochemical and absorption profiles. The most promising compound showed very potent antiplatelet action in vivo. However, pharmacodynamic-pharmacokinetic analysis did not reveal a significant separation between its anti-platelet and bleeding effects. The relevance of receptor binding kinetics to the in vivo profile is described.