1428330-64-6

Basic information

• Product Name: 2-chloro-4-((1-((2-chloro-4-cyanophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)benzonitrile
• CAS NO: 1428330-64-6
• Molecular Weight: 438.291
• Mol File: 1428330-64-6.mol

Chemical Properties

• CAS DataBase Reference: 2-chloro-4-((1-((2-chloro-4-cyanophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)benzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2-chloro-4-((1-((2-chloro-4-cyanophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)benzonitrile(1428330-64-6)
• EPA Substance Registry System: 2-chloro-4-((1-((2-chloro-4-cyanophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)benzonitrile(1428330-64-6)

Safety Data

• Hazardous Substances Data: 1428330-64-6(Hazardous Substances Data)

Upstream product

• 1428330-72-6 3-(3-chloro-4-cyanophenoxymethyl)-3-hydroxyazetidine-1-carboxylic acid tert-butyl ester 
• 254749-11-6 2-chloro-4-cyanobenzene-1-sulfonyl chloride 

Relevant articles and documents

Identification of false positives in hTS hits to lead : The application of Bayesian models in HTS triage to rapidly deliver a series of selective TRPV4 antagonists

Herein, we describe the discovery and optimisation of a series of potent and selective TRPV4 antagonists. The application of a variety of computational techniques (including Bayesian modelling) at the HTS triage stage enabled the early deprioritisation of likely frequent hitters. The use of methods to positively prioritise compounds for follow-up screening allowed the rapid identification of a number of interesting TRPV4 antagonist series. The hit-to-lead efforts in one such series, the hydroxypiperidines, will be described. The Royal Society of Chemistry 2013.