1398560-79-6

Basic information

• Product Name: C₁₆H₁₈N₄OS
• Synonyms: C₁₆H₁₈N₄OS
• CAS NO: 1398560-79-6
• Molecular Weight: 314.411
• Mol File: 1398560-79-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₁₆H₁₈N₄OS(CAS DataBase Reference)
• NIST Chemistry Reference: C₁₆H₁₈N₄OS(1398560-79-6)
• EPA Substance Registry System: C₁₆H₁₈N₄OS(1398560-79-6)

Safety Data

• Hazardous Substances Data: 1398560-79-6(Hazardous Substances Data)

Upstream product

• 57564-94-0 2-(methylthio)-4-chloropyrrolo<2,3-d>pyrimidine 
• 123-30-8 4-amino-phenol 

Relevant articles and documents

Identification and synthesis of substituted pyrrolo[2,3-d]pyrimidines as novel firefly luciferase inhibitors

A novel firefly luciferase inhibitor (3a) with a pyrrolo[2,3-d]pyrimidine core was identified in a cell-based NF-κB luciferase reporter gene assay. It potently inhibited the firefly luciferase derived from Photinus pyralis with an IC50 value of 0.36 ± 0.05 μM. Kinetic analysis of 3a inhibition showed that it is predominantly competitive with respect to d-luciferin and uncompetitive with respect to ATP. Therefore, several pyrrolo[2,3-d]pyrimidine analogues were prepared to further investigate the structure-activity relationship (SAR) for luciferase inhibition. The most potent inhibitor of this series was 4c, which showed an IC50 value of 0.06 ± 0.01 μM. In addition, molecular docking studies suggested that both 3a and 4c could be accommodated in the d-luciferin binding pocket, which is expected for a predominantly competitive inhibitor with respect to d-luciferin.