927679-38-7

Basic information

• Product Name: 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• Synonyms: 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• CAS NO: 927679-38-7
• Molecular Weight: 325.801
• Mol File: 927679-38-7.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine(927679-38-7)
• EPA Substance Registry System: 6-benzyl-2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidin-4-amine(927679-38-7)

Safety Data

• Hazardous Substances Data: 927679-38-7(Hazardous Substances Data)

Upstream product

• 796095-89-1 4‐benzyl‐2,6-dichloropyrimidine 
• 175137-46-9 3-amino-5-cyclopropyl-1H-pyrazole 
• 100-39-0 benzyl bromide 
• 1589-82-8 phenylmagnesium bromide 
• 175137-46-9 5-cyclopropyl-2H-pyrazol-3-ylamine 

Relevant articles and documents

Discovery of 2,4-diaminopyrimidine derivatives targeting p21-activated kinase 4: Biological evaluation and docking studies

In this study, novel 2,4-diaminopyrimidine derivatives targeting p21-activated kinase 4 (PAK4) were discovered and evaluated for their biological activity against PAK4. Among the derivatives studied, promising compounds A2, B6, and B8 displayed the highest inhibitory activities against PAK4 (IC50 = 18.4, 5.9, and 20.4 nM, respectively). From the cellular assay, compound B6 exhibited the highest potency with an IC50 value of 2.533 μM against A549 cells. Some compounds were selected for computational ADME (absorption, distribution, metabolism, and elimination) properties and molecular docking studies against PAK4. The detailed structure–activity relationship based on the biochemical activities and molecular docking studies were explored. According to the docking studies, compound B6 had the lowest docking score (docking energy: ?7.593 kcal/mol). The molecular docking simulation indicated the binding mode between compound B6 and PAK4. All these results suggest compound B6 as a useful candidate for the development of a PAK4 inhibitor.