1600504-72-0

Basic information

• Product Name: tert-butyl 3-((1-(4-fluorophenyl)-9-oxo-2,9-dihydrochromeno[2,3-c]pyrrol-3-yl)methyl)-1H-indole-1-carboxylate
• Synonyms: tert-butyl 3-((1-(4-fluorophenyl)-9-oxo-2,9-dihydrochromeno[2,3-c]pyrrol-3-yl)methyl)-1H-indole-1-carboxylate
• CAS NO: 1600504-72-0
• Molecular Weight: 508.549
• Mol File: 1600504-72-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: tert-butyl 3-((1-(4-fluorophenyl)-9-oxo-2,9-dihydrochromeno[2,3-c]pyrrol-3-yl)methyl)-1H-indole-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 3-((1-(4-fluorophenyl)-9-oxo-2,9-dihydrochromeno[2,3-c]pyrrol-3-yl)methyl)-1H-indole-1-carboxylate(1600504-72-0)
• EPA Substance Registry System: tert-butyl 3-((1-(4-fluorophenyl)-9-oxo-2,9-dihydrochromeno[2,3-c]pyrrol-3-yl)methyl)-1H-indole-1-carboxylate(1600504-72-0)

Safety Data

• Hazardous Substances Data: 1600504-72-0(Hazardous Substances Data)

Upstream product

• 135276-48-1 2-acetylphenyl 4-fluorobenzoate 
• 403-43-0 4-fluorobenzoyl chloride 
• 118-93-4 o-hydroxyacetophenone 
• 143824-78-6 3-[(S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]indole-1-carboxylic acid tert-butyl ester 
• 135276-47-0 1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione 

Relevant articles and documents

Discovery of 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol- 9(2H)-one as a phosphodiesterase-5 inhibitor and its complex crystal structure

Phosphodiesterase-5 (PDE5) inhibitors have been approved for the treatment of erectile dysfunction and pulmonary hypertension, but enthusiasm on discovery of PDE5 inhibitors continues for their potential new applications. Reported here is discovery of a series of new PDE5 inhibitors by structure-based design, molecular docking, chemical synthesis, and enzymatic characterization. The best compound, 3-(4-hydroxybenzyl)-1-(thiophen-2-yl)chromeno[2,3-c]pyrrol-9(2H)-one (57), has an IC50 of 17 nM against the PDE5 catalytic domain and good selectivity over other PDE families. The crystal structure of the PDE5 catalytic domain in complex with 57 was determined at 2 A resolution and showed that 57 occupies the same pocket as other PDE5 inhibitors, but has a different binding pattern in detail. On the basis of the binding pattern of 57, a novel scaffold can be proposed as a candidate of PDE inhibitors.