1383616-46-3

Basic information

• Product Name: C₂₅H₂₃NO₃
• Synonyms: C₂₅H₂₃NO₃
• CAS NO: 1383616-46-3
• Molecular Weight: 385.463
• Mol File: 1383616-46-3.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₅H₂₃NO₃(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₅H₂₃NO₃(1383616-46-3)
• EPA Substance Registry System: C₂₅H₂₃NO₃(1383616-46-3)

Safety Data

• Hazardous Substances Data: 1383616-46-3(Hazardous Substances Data)

Upstream product

• 16851-56-2 indolin-2-yl carboxylic acid 
• 82923-75-9 N-acetyl-(S)-2,3-dihydro-1H-indole-2-carboxylic acid 
• 132530-52-0 C₁₈H₁₇NO₃ 
• 100-39-0 benzyl bromide 

Relevant articles and documents

Towards a KCC2 blocker pharmacophore model

A multi-disciplinary approach was used to identify the first pharmacophore model for KCC2 blockers: several physico-chemical studies such as XRD and NMR were combined to molecular modelling techniques, SAR analysis and synthesis of constrained analogues in order to determine a minimal conformational space regrouping few potential bioactive conformations. These conformations were further compared to the conformational space of a different series of KCC2 blockers in order to identify the common pharmacophoric features. The synthesis of more potent analogues in this second series confirmed the usefulness of this KCC2 blocker pharmacophore model.