1401110-87-9

Basic information

• Product Name: C₁₃H₁₅N₃O₇P₂
• Synonyms: C₁₃H₁₅N₃O₇P₂
• CAS NO: 1401110-87-9
• Molecular Weight: 387.226
• Mol File: 1401110-87-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₃H₁₅N₃O₇P₂(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₃H₁₅N₃O₇P₂(1401110-87-9)
• EPA Substance Registry System: C₁₃H₁₅N₃O₇P₂(1401110-87-9)

Safety Data

• Hazardous Substances Data: 1401110-87-9(Hazardous Substances Data)

Upstream product

• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 6937-03-7 methyl 2-aminoisonicotinate 
• 3783-38-8 methyl isonicotinate N-oxide 
• 1401111-04-3 tetraethyl (((4-(phenylcarbamoyl)pyridin-2-yl)amino)methylene)bis(phosphonate) 
• 1401111-01-0 2-((bis(diethoxyphosphoryl)methyl)amino)isonicotinic acid 
• 62-53-3 aniline 

Relevant articles and documents

Design of potent bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase via targeted interactions with the active site 'capping' phenyls

Nitrogen-containing bisphosphonates (N-BPs) are potent active site inhibitors of the human farnesyl pyrophosphate synthase (hFPPS) and valuable human therapeutics for the treatment of bone-related malignancies. N-BPs are also useful in combination chemotherapy for patients with breast, prostate and multiple myeloma cancers. A structure-based approach was employed in order to design inhibitors that exhibit higher lipophilicity and better occupancy for the GPP sub-pocket of hFPPS than the current therapeutic drugs. These novel analogs were designed to bind deeper into the GPP sub-pocket by displacing the side chains of the 'capping' residue Phe 113 and engaging in favorable π-interactions with the side chain of Phe112.