(3R,4S)-293B

Ligand id: 2589

Name: (3R,4S)-293B

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 99.01
Molecular weight 324.11
XLogP 1.23
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Synonyms
chromanol 239B | LS-185874
Database Links
BindingDB Ligand 50106227
CAS Registry No. 163163-23-3 (source: Scifinder)
ChEBI CHEBI:34637
ChEMBL Ligand CHEMBL434045
PubChem CID 121846
Search Google for chemical match using the InChIKey HVSJHHXUORMCGK-UONOGXRCSA-N
Search Google for chemicals with the same backbone HVSJHHXUORMCGK
Search UniChem for chemical match using the InChIKey HVSJHHXUORMCGK-UONOGXRCSA-N
Search UniChem for chemicals with the same backbone HVSJHHXUORMCGK
Comments
(3R,4S)-293B acts as an antagonist of the KCNQ1 potassium channel (Kv7.1). The stereo-specific effects of the (3R,4S)-293B and 3S,4R-293B enantiomers has been reported by Seebohm et al. (2001) [2]. Note that some biological activity data may have been generated using the racemic mixture (chromanol 239B) represented by the 'flat' structure with PubChem CID 656731. Additional partially specified stereo-isomers include CID 44275282 and CID 44275281.