709040-12-0

Basic information

• Product Name: 1-(8-amino-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-dichloro-phenyl)-thiourea
• Synonyms: 1-(8-amino-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-dichloro-phenyl)-thiourea
• CAS NO: 709040-12-0
• Molecular Weight: 381.285
• Mol File: 709040-12-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1-(8-amino-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-dichloro-phenyl)-thiourea(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(8-amino-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-dichloro-phenyl)-thiourea(709040-12-0)
• EPA Substance Registry System: 1-(8-amino-1-oxo-1,2,3,4-tetrahydro-isoquinolin-7-yl)-3-(2,6-dichloro-phenyl)-thiourea(709040-12-0)

Safety Data

• Hazardous Substances Data: 709040-12-0(Hazardous Substances Data)

Upstream product

• 452296-22-9 7-acetamido-8-nitro-3,4-dihydro-2H-isoquinoline-1-one 
• 452296-23-0 7-acetamido-8-amino-3,4-dihydro-2H-isoquinoline-1-one 
• 66491-03-0 7-amino-3,4-dihydroisoquinoline-1(2H)-one 
• 1196-38-9 3,4-dihydroisoquinolin-1(2H)-one 
• 22245-94-9 7-acetylamino-3,4-dihydro-2H-isoquinolin-1-one 
• 22245-96-1 7-nitro-3,4-dihydro-2H-isoquinolin-1-one 
• 91-21-4 1,2,3,4-tetrahydroisoquinoline 
• 6590-95-0 2,6-dichlorophenylisothiocyanate 

Relevant articles and documents

Discovery of 2-phenylamino-imidazo[4,5-h]isoquinolin-9-ones: A new class of inhibitors of lck kinase

An imidazo[4,5-h]isoquinolin-7,9-dione (1) was identified as an adenosine 5′-triphosphate competitive inhibitor of lck by high throughput screening. Initial structure-activity relationship studies identified the dichlorophenyl ring and the imide NH as important pharmacophores. A binding model was constructed to understand how 1 binds to a related kinase, hck. These results suggested that removing the gem-dimethyl group and flattening the ring would enhance activity. This was realized by converting 1 to the imidazo[4,5-h]isoquinolin-9-one (20), resulting in an 18-fold improvement in potency against lck and a 50-fold increase in potency in a cellular assay.