1313365-33-1

Basic information

• Product Name: 7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one
• Synonyms: 7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one
• CAS NO: 1313365-33-1
• Molecular Weight: 480.948
• Mol File: 1313365-33-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one(1313365-33-1)
• EPA Substance Registry System: 7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-(4-nitro-phenyl)-1,4-dihydro-2H-isoquinolin-3-one(1313365-33-1)

Safety Data

• Hazardous Substances Data: 1313365-33-1(Hazardous Substances Data)

Upstream product

• 100-01-6 4-nitro-aniline 
• 104-88-1 4-chlorobenzaldehyde 
• 1313364-77-0 [4-((R)-sec-Butoxy)-3-methoxy-phenyl]-acetyl chloride 
• 5340-14-7 (4-chlorobenzylidene)(4-nitrophenyl)amine 
• 1313364-76-9 [4-((R)-sec-Butoxy)-3-methoxy-phenyl]-acetic acid 
• 15964-80-4 2-(4-hydroxy-3-methoxyphenyl)acetic acid methyl ester 

Downstream Products

• 1313361-51-1 7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-2-{4-[(pyridin-4-ylmethyl)-amino]-phenyl}-1,4-dihydro-2H-isoquinolin-3-one 
• 1313361-26-0 7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-2-{4-[(trans-4-ethylamino-cyclohexylmethyl)-methyl-amino]-phenyl}-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 
• 1313365-39-7 {4-[({4-[7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-3-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-methyl-amino)-methyl]-trans-cyclohexyl}-carbamic acid tert-butyl ester 
• 1313361-25-9 2-{4-[(trans-4-amino-cyclohexylmethyl)-methyl-amino]-phenyl}-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 
• 1313365-36-4 7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-2-[4-((cyclopentylmethyl)-amino)-phenyl]-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 
• 1313361-15-7 N-{4-[7-((R)-sec-Butoxy)-1-(4-chloro-phenyl)-6-methoxy-3-oxo-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl}-N-cyclopentylmethyl-acetamide 
• 1313365-34-2 2-(4-Amino-phenyl)-7-((R)-sec-butoxy)-1-(4-chloro-phenyl)-6-methoxy-1,4-dihydro-2H-isoquinolin-3-one 

Relevant articles and documents

Discovery of dihydroisoquinolinone derivatives as novel inhibitors of the p53-MDM2 interaction with a distinct binding mode

Blocking the interaction between the p53 tumor suppressor and its regulatory protein MDM2 is a promising therapeutic concept under current investigation in oncology drug research. We report here the discovery of the first representatives of a new class of small molecule inhibitors of this protein-protein interaction: the dihydroisoquinolinones. Starting from an initial hit identified by virtual screening, a derivatization program has resulted in compound 11, a low nanomolar inhibitor of the p53-MDM2 interaction showing significant cellular activity. Initially based on a binding mode hypothesis, this effort was then guided by a X-ray co-crystal structure of MDM2 in complex with one of the synthesized analogs. The X-ray structure revealed an unprecedented binding mode for p53-MDM2 inhibitors.