1242157-65-8

Basic information

• Product Name: 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one
• Synonyms: 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one
• CAS NO: 1242157-65-8
• Molecular Weight: 620.727
• Mol File: 1242157-65-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one(1242157-65-8)
• EPA Substance Registry System: 6-cyclopropyl-2-(3-{5-[5-(4-ethylpiperazin-1-yl)pyridin-2-ylamino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-2-hydroxymethylphenyl)-8-fluoro-2H-isoquinolin-1-one(1242157-65-8)

Safety Data

• Hazardous Substances Data: 1242157-65-8(Hazardous Substances Data)

Upstream product

• 1242157-14-7 5-bromo-7-fluoro-2,3-dihydro-1H-inden-1-one 
• 395639-63-1 1-(4-bromo-2-fluorophenyl)-3-chloro-propan-1-one 
• 1242156-54-2 2-chloro-6-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2 (1H)-yl)benzaldehyde 
• 151982-51-3 4-bromo-2-fluorobenzoyl chloride 
• 1242156-52-0 4-cyclopropyl-2-fluoro-6-methylbenzamide 
• 1242156-51-9 4-bromo-2-fluoro-6-methylbenzamide 
• 1242157-23-8 4-bromo-2-fluoro-6-methylbenzoic acid 
• 1242156-53-1 6-cyclopropyl-8-fluoro-1-oxoisoquinoline-2-(1H)-one 
• 1242157-16-9 6-cyclopropyl-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one 
• 1242157-15-8 6-bromo-8-fluoro-3,4-dihydroisoquinolin-1(2H)-one 
• 1242156-55-3 2-(3-chloro-2-(hydroxymethyl)phenyl)-6-cyclopropyl-8-fluoroisoquinoline-1(2H)-one 
• 1293344-24-7 3-{[5-(4-ethylpiperazin-1-yl)pyridin-2-yl]amino}-1-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridin-2-one 

Relevant articles and documents

Structure-based drug design of RN486, a potent and selective Bruton's tyrosine kinase (BTK) inhibitor, for the treatment of rheumatoid arthritis

Structure-based drug design was used to guide the optimization of a series of selective BTK inhibitors as potential treatments for Rheumatoid arthritis. Highlights include the introduction of a benzyl alcohol group and a fluorine substitution, each of which resulted in over 10-fold increase in activity. Concurrent optimization of drug-like properties led to compound 1 (RN486) (J. Pharmacol. Exp. Ther. 2012, 341, 90), which was selected for advanced preclinical characterization based on its favorable properties.