1613404-99-1

Basic information

• Product Name: 1-((3R,5R)-7-((2-(dimethylamino)ethyl)amino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide
• CAS NO: 1613404-99-1
• Molecular Weight: 628.787
• Mol File: 1613404-99-1.mol

Chemical Properties

• CAS DataBase Reference: 1-((3R,5R)-7-((2-(dimethylamino)ethyl)amino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: 1-((3R,5R)-7-((2-(dimethylamino)ethyl)amino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide(1613404-99-1)
• EPA Substance Registry System: 1-((3R,5R)-7-((2-(dimethylamino)ethyl)amino)-3,5-dihydroxy-7-oxoheptyl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide(1613404-99-1)

Safety Data

• Hazardous Substances Data: 1613404-99-1(Hazardous Substances Data)

Upstream product

• 108-00-9 N,N-dimethylethylenediamine 

Relevant articles and documents

Structure guided design and kinetic analysis of highly potent benzimidazole inhibitors targeting the PDEδ prenyl binding site

K-Ras is one of the most frequently mutated signal transducing human oncogenes. Ras signaling activity requires correct cellular localization of the GTPase. The spatial organization of K-Ras is controlled by the prenyl binding protein PDEδ, which enhances Ras diffusion in the cytosol. Inhibition of the Ras-PDEδ interaction by small molecules impairs Ras localization and signaling. Here we describe in detail the identification and structure guided development of Ras-PDEδ inhibitors targeting the farnesyl binding pocket of PDEδ with nanomolar affinity. We report kinetic data that characterize the binding of the most potent small molecule ligands to PDEδ and prove their binding to endogenous PDEδ in cell lysates. The PDEδ inhibitors provide promising starting points for the establishment of new drug discovery programs aimed at cancers harboring oncogenic K-Ras.