714275-89-5

Basic information

• Product Name: C₁₇H₂₅N₃O₅
• Synonyms: C₁₇H₂₅N₃O₅
• CAS NO: 714275-89-5
• Molecular Weight: 351.403
• Mol File: 714275-89-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: C₁₇H₂₅N₃O₅(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₇H₂₅N₃O₅(714275-89-5)
• EPA Substance Registry System: C₁₇H₂₅N₃O₅(714275-89-5)

Safety Data

• Hazardous Substances Data: 714275-89-5(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 591-27-5 m-Hydroxyaniline 
• 207857-15-6 1,3-di(tert-butyloxycarbonyl)-2-(trifluoromethylsulfonyl)guanidine 
• 714275-88-4 C₂₃H₃₉N₃O₅Si 

Downstream Products

• 883909-75-9 C₂₈H₃₀ClN₃O₈ 
• 714275-90-8 C₂₄H₃₁N₃O₅ 
• 714275-92-0 C₂₄H₃₀BrN₃O₅ 

Relevant articles and documents

Investigation of mechanism-based thrombin inhibitors: Implications of a highly conserved water molecule for the binding of coumarins within the S pocket

The synthesis of novel coumarins bearing on the lateral side chain in the 3-position an amine or a guanidine group is described. In vitro evaluation highlighted 14d which possesses a meta aniline side chain as a very potent THR inhibitor. Surprisingly, the introduction of a guanidine moiety always led to a decrease in THR inhibiting properties. We, thus, used docking experiments to rationalize the SAR in the series. This study showed the crucial role of a conserved water molecule in the specificity pocket of THR during docking simulation in order to explain the inactivity of guanidine derivatives.