1428553-75-6

Basic information

• Product Name: 5,7-dimethyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-phenyl-2H-chromen-2-one
• Synonyms: 5,7-dimethyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-phenyl-2H-chromen-2-one
• CAS NO: 1428553-75-6
• Molecular Weight: 438.569
• Mol File: 1428553-75-6.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 5,7-dimethyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-phenyl-2H-chromen-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5,7-dimethyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-phenyl-2H-chromen-2-one(1428553-75-6)
• EPA Substance Registry System: 5,7-dimethyl-6-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-phenyl-2H-chromen-2-one(1428553-75-6)

Safety Data

• Hazardous Substances Data: 1428553-75-6(Hazardous Substances Data)

Upstream product

• 637-44-5 phenylpropyolic acid 
• 7463-51-6 4-bromo-3,5-dimethylphenol 
• 109-01-3 1-methyl-piperazine 
• 68162-47-0 4-bromomethylphenylboronic acid 
• 267901-75-7 6-bromo-5,7-dimethyl-4-phenyl-2H-chromen-2-one 
• 267901-42-8 4-bromo-3,-5-dimethyl-phenyl 3-phenylpropiolate 
• 626-67-5 N-methylcyclohexylamine 

Relevant articles and documents

Compounds for the treatment of mycobacterial infections

The invention relates to compounds of Formula I or a pharmaceutically acceptable salt, ester or prodrug thereof:

Synthesis and structure-activity relationships of phenyl-substituted coumarins with anti-tubercular activity that target FadD32

In an effort to develop new and potent agents for therapy against tuberculosis, a high-throughput screen was performed against Mycobacterium tuberculosis strain H37Rv. Two 6-aryl-5,7-dimethyl-4-phenylcoumarin compounds 1a and 1b were found with modest activity. A series of coumarin derivatives were synthesized to improve potency and to investigate the structure-activity relationship of the series. Among them, compounds 1o and 2d showed improved activity with IC90 of 2 μM and 0.5 μM, respectively. Further optimization provided compound 3b with better physiochemical properties with IC90 0.4 μM which had activity in a mouse model of infection. The role of the conformation of the 4- and 6-aryl substituents is also described.