896742-21-5

Basic information

• Product Name: 2-(2,4-dichlorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
• Synonyms: 2-(2,4-dichlorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one
• CAS NO: 896742-21-5
• Molecular Formula: C14H7Cl2NO3
• Molecular Weight: 308.11628
• Mol File: 896742-21-5.mol
• Article Data: 1

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(2,4-dichlorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,4-dichlorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one(896742-21-5)
• EPA Substance Registry System: 2-(2,4-dichlorophenyl)-4-(2-furylmethylene)-1,3-oxazol-5(4H)-one(896742-21-5)

Safety Data

• Hazardous Substances Data: 896742-21-5(Hazardous Substances Data)

Upstream product

• 98-01-1 furfural 
• 7554-79-2 N-(2,4-dichloro-benzoyl)-glycine 

Relevant articles and documents

Virtual Screening Directly Identifies New Fragment-Sized Inhibitors of Carboxylesterase Notum with Nanomolar Activity

Notum is a negative regulator of Wnt signaling acting through the hydrolysis of a palmitoleoylate ester, which is required for Wnt activity. Inhibitors of Notum could be of use in diseases where dysfunctional Notum activity is an underlying cause. A docking-based virtual screen (VS) of a large commercial library was used to shortlist 952 compounds for experimental validation as inhibitors of Notum. The VS was successful with 31 compounds having an IC50 500 nM. A critical selection process was then applied with two clusters and two singletons (1-4d) selected for hit validation. Optimization of 4d guided by structural biology identified potent inhibitors of Notum activity that restored Wnt/β-catenin signaling in cell-based models. The [1,2,4]triazolo[4,3-b]pyradizin-3(2H)-one series 4 represent a new chemical class of Notum inhibitors and the first to be discovered by a VS campaign. These results demonstrate the value of VS with well-designed docking models based on X-ray structures.