1403946-84-8

Basic information

• Product Name: (S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
• Synonyms: (S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one
• CAS NO: 1403946-84-8
• Molecular Weight: 398.427
• Mol File: 1403946-84-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: (S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one(1403946-84-8)
• EPA Substance Registry System: (S)-2-(1-(9H-purin-6-yl)pyrrolidin-2-yl)-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one(1403946-84-8)

Safety Data

• Hazardous Substances Data: 1403946-84-8(Hazardous Substances Data)

Upstream product

• 15761-39-4 1-(tert-butoxycarbonyl)-L-proline 
• 1403942-66-4 (S)-tert-butyl 2-(4-oxo-3-phenyl-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)pyrrolidine-1-carboxylate 
• 87-42-3 6-chloropurine 
• 159326-69-9 1-aminopyrrole-2-carboxamide 
• 1072811-51-8 (S)-tert-butyl 2-(2-carbamoyl-1H-pyrrol-1-ylcarbamoyl)pyrrolidine-1-carboxylate 
• 1072811-52-9 (S)-tert-butyl 2-(4-oxo-3,4-dihydropyrrolo[1,2-f][1,2,4]triazin-2-yl)pyrrolidine-1-carboxylate 
• 1403942-65-3 (S)-tert-butyl 2-(2-(phenylcarbamoyl)-1H-pyrrol-1-ylcarbamoyl)pyrrolidine-1-carboxylate 
• 1403942-64-2 (S)-3-phenyl-2-(pyrrolidin-2-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one 
• 767-69-1 6-bromopurine 

Relevant articles and documents

Discovery, Optimization, and Evaluation of Potent and Highly Selective PI3Kγ-PI3KδDual Inhibitors

An electronic density model was developed and used to identify a novel pyrrolotriazinone replacement for a quinazolinone, a commonly used moiety to impart selectivity in inhibitors for PI3Kγand PI3Kδ. Guided by molecular docking, this new specificity piece was then linked to the hinge-binding region of the inhibitor using a novel cyclic moiety. Further structure-activity relationship optimization around the hinge region led to the discovery of candidate 26, a highly potent and selective PI3Kγ-PI3Kδdual inhibitor with favorable drug metabolism and pharmacokinetic properties in preclinical species.

NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS

The invention relates to novel heteroaryl and heterocycle compounds and pharmaceutical compositions comprising them, uses and methods thereof for inhibiting the activity of PI3k and for treating inflammatory and autoimmune disorders diseases and cancer.