1347757-08-7

Basic information

• Product Name: (S)-N-(3-phenoxybenzyl)-1-(2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)-3-piperidinecarboxamide
• CAS NO: 1347757-08-7
• Molecular Weight: 569.66
• Mol File: 1347757-08-7.mol

Chemical Properties

• CAS DataBase Reference: (S)-N-(3-phenoxybenzyl)-1-(2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)-3-piperidinecarboxamide(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-N-(3-phenoxybenzyl)-1-(2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)-3-piperidinecarboxamide(1347757-08-7)
• EPA Substance Registry System: (S)-N-(3-phenoxybenzyl)-1-(2-((3,4,5-trimethoxyphenyl)amino)-4-pyrimidinyl)-3-piperidinecarboxamide(1347757-08-7)

Safety Data

• Hazardous Substances Data: 1347757-08-7(Hazardous Substances Data)

Upstream product

• 37675-18-6 (S)-(+)-nipecotic acid ethyl ester 
• 1347758-05-7 (S)-1-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)piperidine-3-carboxylic acid 
• 50742-37-5 3-phenoxybenzylamine 
• 1347758-04-6 (S)-ethyl 1-(2-(3,4,5-trimethoxyphenylamino)pyrimidin-4-yl)piperidine-3-carboxylate 
• 1347758-03-5 (S)-ethyl 1-(2-chloropyrimidin-4-yl)piperidine-3-carboxylate 

Relevant articles and documents

Rapid development of piperidine carboxamides as potent and selective anaplastic lymphoma kinase inhibitors

Piperidine carboxamide 1 was identified as a novel inhibitor of anaplastic lymphoma kinase (ALK enzyme assay IC50 = 0.174 μM) during high throughput screening, with selectivity over the related kinase insulin-like growth factor-1 (IGF1R). The X-ray cocrystal structure of 1 with the ALK kinase domain revealed an unusual DFG-shifted conformation, allowing access to an extended hydrophobic pocket. Structure-activity relationship (SAR) studies were focused on the rapid parallel optimization of both the right- and left-hand side of the molecule, culminating in molecules with improved potency and selectivity over IGF1R.

PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE

Compounds of Formula I are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.