891785-93-6

Basic information

• Product Name: {2-(1H-indol-3-yl)-1-[5-(3-phenylethynyl-isoquinolin-6-yl)-pyridin-3-yloxymethyl]-ethyl}-carbamic acid tert-butyl ester
• CAS NO: 891785-93-6
• Molecular Weight: 594.713
• Mol File: 891785-93-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: {2-(1H-indol-3-yl)-1-[5-(3-phenylethynyl-isoquinolin-6-yl)-pyridin-3-yloxymethyl]-ethyl}-carbamic acid tert-butyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: {2-(1H-indol-3-yl)-1-[5-(3-phenylethynyl-isoquinolin-6-yl)-pyridin-3-yloxymethyl]-ethyl}-carbamic acid tert-butyl ester(891785-93-6)
• EPA Substance Registry System: {2-(1H-indol-3-yl)-1-[5-(3-phenylethynyl-isoquinolin-6-yl)-pyridin-3-yloxymethyl]-ethyl}-carbamic acid tert-butyl ester(891785-93-6)

Safety Data

• Hazardous Substances Data: 891785-93-6(Hazardous Substances Data)

Upstream product

• 552331-06-3 6-bromo-3-chloro-isoquinoline 
• 900517-08-0 (S)-[1-(1H-indol-3-ylmethyl)-2-(5-trimethylstannylpyridin-3-yloxy)ethyl]carbamic acid tert-butyl ester 
• 552331-08-5 (1S)-[2-[5-(3-chloro-isoquinolin-6-yl)-pyridin-3-yloxy]-1-(1H-indol-3-ylmethyl)-ethyl]-carbamic acid tert-butyl ester 
• 1199-95-7 1-(trimethylstannyl)-2-phenylethyne 

Relevant articles and documents

Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity

The structure-activity relationships of a series of isoquinoline-pyridine-based protein kinase B/Akt antagonists have been investigated in an effort to improve the major short-comings of the lead compound 3, including poor pharmacokinetic profiles in several species (e.g., mouse iv t1/2 = 0.3 h, po F = 0%). Chlorination at C-1 position of the isoquinoline improved its pharmacokinetic property in mice (iv t1/2 = 5.0 h, po F = 51%) but resulted in >500-fold drop in potency. In a mouse MiaPaCa-2 xenograft model, an amino analog 10y significantly slowed the tumor growth, however was accompanied by toxicity.