99860-38-5

Basic information

• Product Name: 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(4-methoxyphenyl)-
• CAS NO: 99860-38-5
• Molecular Formula: C11H12ClN5O
• Molecular Weight: 265.702
• Mol File: 99860-38-5.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(4-methoxyphenyl)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(4-methoxyphenyl)-(99860-38-5)
• EPA Substance Registry System: 1,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(4-methoxyphenyl)-(99860-38-5)

Safety Data

• Hazardous Substances Data: 99860-38-5(Hazardous Substances Data)

Upstream product

• 4838-56-6 N-(4-methoxyphenyl)imidodicarbonimidic diamide hydrochloride 
• 105-39-5 chloroacetic acid ethyl ester 
• 104-94-9 4-methoxy-aniline 
• 96-34-4 methyl chloroacetate 

Downstream Products

• 1269527-25-4 6-{[4-(benzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine 
• 1269527-15-2 6-[(1H-benzo[d]imidazol-2-ylthio)methyl]-N₂-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine 
• 1269527-27-6 6-{[4-(4-bromobenzylideneamino)-5-phenyl-4H-1,2,4-triazol-3-ylthio]methyl}-N₂-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine 
• 1269527-21-0 6-[(4,5-diphenyl-4H-1,2,4-triazol-3-ylthio)methyl]-N₂-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine 
• 1269527-20-9 N₂-(4-methoxyphenyl)-6-((5-methyl-1H-benzo[d]imidazol-2-ylthio)methyl)-1,3,5-triazine-2,4-diamine 
• 1269527-23-2 N₂-(4-methoxyphenyl)-6-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-ylthio]methyl}-1,3,5-triazine-2,4-diamine 

Relevant articles and documents

Identifying Lysophosphatidic Acid Acyltransferase β (LPAAT-β) as the Target of a Nanomolar Angiogenesis Inhibitor from a Phenotypic Screen Using the Polypharmacology Browser PPB2

By screening a focused library of kinase inhibitor analogues in a phenotypic co-culture assay for angiogenesis inhibition, we identified an aminotriazine that acts as a cytostatic nanomolar inhibitor. However, this aminotriazine was found to be completely inactive in a whole-kinome profiling assay. To decipher its mechanism of action, we used the online target prediction tool PPB2 (http://ppb2.gdb.tools), which suggested lysophosphatidic acid acyltransferase β (LPAAT-β) as a possible target for this aminotriazine as well as several analogues identified by structure–activity relationship profiling. LPAAT-β inhibition (IC50 ≈15 nm) was confirmed in a biochemical assay and by its effects on cell proliferation in comparison with a known LPAAT-β inhibitor. These experiments illustrate the value of target-prediction tools to guide target identification for phenotypic screening hits and significantly expand the rather limited pharmacology of LPAAT-β inhibitors.