1608156-91-7

Basic information

• Product Name: 2-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
• Synonyms: 2-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione
• CAS NO: 1608156-91-7
• Molecular Weight: 371.387
• Mol File: 1608156-91-7.mol

Chemical Properties

• CAS DataBase Reference: 2-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione(CAS DataBase Reference)
• NIST Chemistry Reference: 2-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione(1608156-91-7)
• EPA Substance Registry System: 2-{2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione(1608156-91-7)

Safety Data

• Hazardous Substances Data: 1608156-91-7(Hazardous Substances Data)

Upstream product

• 348-57-2 2,4-difluorobromobenzene 
• 574-98-1 2-(2-bromoethyl)isoindoline-1,3-dione 
• 115761-79-0 1-(2,4-difluoro-phenyl)piperazine 

Downstream Products

• 1135433-96-3 2-[4-(2,4-difluorophenyl)piperazin-1-yl]ethan-1-amine 

Relevant articles and documents

MODULATORS OF THE ADENOSINE A2A RECEPTOR

The present invention relates to the compounds of formula (I) and salts, stereoisomers, tautomers, isotopologues, or N-oxides thereof. The present invention is further concerned with the use of such a compounds or salt, stereoisomer, tautomer, isotopologues, or N- oxide thereof as modulators of the adenosine A2A receptor in the treatment of cancer and a pharmaceutical composition comprising said compounds.

Binding kinetics of ZM241385 derivatives at the human adenosine A 2A receptor

Classical drug design and development rely mostly on affinity- or potency-driven structure-activity relationships (SAR). Thus far, a given compound's binding kinetics have been largely ignored, the importance of which is now being increasingly recognized. In the present study, we performed an extensive structure-kinetics relationship (SKR) study in addition to a traditional SAR analysis at the adenosine A2A receptor (A 2AR). The ensemble of 24 A2AR compounds, all triazolotriazine derivatives resembling the prototypic antagonist ZM241385 (4-(2-((7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino) ethyl)phenol), displayed only minor differences in affinity, although they varied substantially in their dissociation rates from the receptor. We believe that such a combination of SKR and SAR analyses, as we have done with the A 2AR, will have general importance for the superfamily of G protein-coupled receptors, as it can serve as a new strategy to tailor the interaction between ligand and receptor. Above and beyond: Insight into the binding kinetics of ZM241385 derivatives at the human adenosine A2A receptor has provided additional information beyond a traditional structure-activity relationship (SAR) analysis. The strategy, combining a structure-kinetics relationship investigation and SAR, can serve as an important tool for more directed medicinal chemistry efforts in the future.