1404307-11-4

Basic information

• Product Name: C₁₉H₂₂N₁₀O
• Synonyms: C₁₉H₂₂N₁₀O
• CAS NO: 1404307-11-4
• Molecular Weight: 406.45
• Mol File: 1404307-11-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₉H₂₂N₁₀O(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₉H₂₂N₁₀O(1404307-11-4)
• EPA Substance Registry System: C₁₉H₂₂N₁₀O(1404307-11-4)

Safety Data

• Hazardous Substances Data: 1404307-11-4(Hazardous Substances Data)

Upstream product

• 1404307-27-2 3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ol 
• 1404307-26-1 6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-3-amine 
• 1404307-32-9 C₁₄H₁₉N₅O 
• 33089-15-5 4-chloro-5-cyano-2-methylthiopyrimidine 
• 3320-87-4 isocyanic acid (3-nitro-phenyl) ester 
• 1404307-29-4 C₁₄H₁₇N₅O₃ 
• 89487-99-0 4-hydroxy-2-methylsulfanylpyrimidine-5-carbonitrile 

Relevant articles and documents

Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimization

Aberrant activation of casein kinase 1 (CK1) has been demonstrated to be implicated in the pathogenesis of cancer and various central nervous system disorders. Discovery of CK1 inhibitors has thus attracted much attention in recent years. In this account, we describe the discovery of N6-phenyl-1H- pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors. An optimal common-feature pharmacophore hypothesis, termed Hypo2, was firstly generated, followed by virtual screening using Hypo2 against several chemical databases. One of the best hit compounds, N6-(4-chlorophenyl)-1H-pyrazolo[3,4-d] pyrimidine-3,6-diamine, was chosen for the subsequent hit-to-lead optimization under the guide of Hypo2, which led to the discovery of a new lead compound (1-(3-(3-amino-1H-pyrazolo[3,4-d]pyrimidin-6-ylamino)phenyl)-3-(3-chloro-4- fluorophenyl)urea) that potently inhibits CK1 with an IC50 value of 78 nM.