1394293-76-5

Basic information

• Product Name: C₂₀H₂₂N₄O₆S
• Synonyms: C₂₀H₂₂N₄O₆S
• CAS NO: 1394293-76-5
• Molecular Weight: 446.484
• Mol File: 1394293-76-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₀H₂₂N₄O₆S(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₀H₂₂N₄O₆S(1394293-76-5)
• EPA Substance Registry System: C₂₀H₂₂N₄O₆S(1394293-76-5)

Safety Data

• Hazardous Substances Data: 1394293-76-5(Hazardous Substances Data)

Upstream product

• 19947-75-2 5-amino-3,4-dimethylisoxazol 
• 184644-22-2 N-(3,4-dimethylisoxazol-5-yl)-4-nitrobenzenesulfonamide 
• 127-69-5 sulfisoxazole 
• 37527-66-5 3,4-dimethoxyphenylisocyanate 

Relevant articles and documents

Virtual screening leads to the discovery of novel non-nucleotide P2Y 1 receptor antagonists

The P2Y1 receptor (P2Y1R) is a G protein-coupled receptor naturally activated by extracellular ADP. Its stimulation is an essential requirement of ADP-induced platelet aggregation, thus making antagonists highly sought compounds for the development of antithrombotic agents. Here, through a virtual screening campaign based on a pharmacophoric representation of the common characteristics of known P2Y1R ligands and the putative shape and size of the receptor binding pocket, we have identified novel antagonist hits of μM affinity derived from a N,N′-bis-arylurea chemotype. Unlike the vast majority of known P2Y 1R antagonists, these drug-like compounds do not have a nucleotidic scaffold or highly negatively charged phosphate groups. Hence, our compounds may provide a direction for the development of receptor probes with altered physicochemical properties.