1050446-55-3

Basic information

• Product Name: [1,3-dibenzyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile
• Synonyms: [1,3-dibenzyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile
• CAS NO: 1050446-55-3
• Molecular Weight: 382.462
• Mol File: 1050446-55-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [1,3-dibenzyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: [1,3-dibenzyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile(1050446-55-3)
• EPA Substance Registry System: [1,3-dibenzyl-5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl]acetonitrile(1050446-55-3)

Safety Data

• Hazardous Substances Data: 1050446-55-3(Hazardous Substances Data)

Upstream product

• 70351-49-4 (5-methoxy-2-oxo-2,3-dihydro-1H-indol-3-yl)acetonitrile 
• 100-39-0 benzyl bromide 

Downstream Products

• 1050446-62-2 3a,8-dibenzyl-5-methoxy-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole 

Relevant articles and documents

Synthesis and biological evaluation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors

A series of pyrrolidinoindolines have been synthesized as debromoflustramine B (4a) analogues for their evaluation as cholinesterase inhibitors. Structure-activity studies of this series revealed the optimum pharmacophore elements required for activity and resulted in the discovery of selective butyrylcholinesterase inhibitors with micromolar potency. Biological testing demonstrated that (-)-4a was 7500 times more potent than its enantiomer (+)-4b. The most active inhibitor against BChE in the series was demethyldebromoflustramine B (5a), with an IC50 value of 0.26 μM. X-ray crystallography of 15 and docking studies of selected compounds into human BChE (PDB 1POI) are presented. Molecular modeling studies showed that π-hydrogen bond, classical hydrogen bond, and cation-π interactions are critical for optimum potency.