869584-11-2

Basic information

• Product Name: 1,3-Benzenedicarboxylic acid, 5-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonyl]amino]-, bis(phenylmethyl) ester
• CAS NO: 869584-11-2
• Molecular Formula: C41H40N2O5
• Molecular Weight: 640.779
• Mol File: 869584-11-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,3-Benzenedicarboxylic acid, 5-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonyl]amino]-, bis(phenylmethyl) ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-Benzenedicarboxylic acid, 5-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonyl]amino]-, bis(phenylmethyl) ester(869584-11-2)
• EPA Substance Registry System: 1,3-Benzenedicarboxylic acid, 5-[[[2-(cycloheptylmethyl)-5-phenyl-1H-pyrrol-3-yl]carbonyl]amino]-, bis(phenylmethyl) ester(869584-11-2)

Safety Data

• Hazardous Substances Data: 869584-11-2(Hazardous Substances Data)

Upstream product

• 70-11-1 α-bromoacetophenone 
• 869584-05-4 2-cycloheptylmethyl-5-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester 
• 869584-08-7 2-cycloheptylmethyl-5-phenyl-1H-pyrrole-3-carboxylic acid 
• 869584-02-1 4-cycloheptyl-3-oxo-2-(2-oxo-2-phenyl-ethyl)-butyric acid ethyl ester 
• 152699-63-3 5-Amino-isophthalic acid dibenzyl 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"