869584-12-3

Basic information

• Product Name: 5-{[2-(2-adamantan-1-yl-ethyl)-5-phenyl-1H-pyrrole-3-carbonyl]-amino}-isophthalic acid dibenzyl ester
• Synonyms: 5-{[2-(2-adamantan-1-yl-ethyl)-5-phenyl-1H-pyrrole-3-carbonyl]-amino}-isophthalic acid dibenzyl ester
• CAS NO: 869584-12-3
• Molecular Weight: 692.855
• Mol File: 869584-12-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-{[2-(2-adamantan-1-yl-ethyl)-5-phenyl-1H-pyrrole-3-carbonyl]-amino}-isophthalic acid dibenzyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 5-{[2-(2-adamantan-1-yl-ethyl)-5-phenyl-1H-pyrrole-3-carbonyl]-amino}-isophthalic acid dibenzyl ester(869584-12-3)
• EPA Substance Registry System: 5-{[2-(2-adamantan-1-yl-ethyl)-5-phenyl-1H-pyrrole-3-carbonyl]-amino}-isophthalic acid dibenzyl ester(869584-12-3)

Safety Data

• Hazardous Substances Data: 869584-12-3(Hazardous Substances Data)

Upstream product

• 70-11-1 α-bromoacetophenone 
• 869584-09-8 2-adamantan-1-ylethyl-5-phenyl-1H-pyrrole-3-carboxylic acid 
• 152699-63-3 5-Amino-isophthalic acid dibenzyl ester 
• 869584-06-5 2-adamantan-1-ylethyl-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 869584-03-2 5-adamantan-1-yl-3-oxo-2-(2-oxo-2-phenylethyl)pentanoic acid ethyl ester 

Relevant articles and documents

Scaffold hopping with molecular field points: Identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists

A new molecular modeling approach has been used to derive a pharmacophore of the potent and selective cholecystokinin-2 (CCK2) receptor antagonist 5 (JB93182), based on features shared with two related series. The technique uses "field points"