1548343-96-9

Basic information

• Product Name: (S)-tert-butyl 2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate
• Synonyms: (S)-tert-butyl 2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate
• CAS NO: 1548343-96-9
• Molecular Weight: 400.865
• Mol File: 1548343-96-9.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (S)-tert-butyl 2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (S)-tert-butyl 2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate(1548343-96-9)
• EPA Substance Registry System: (S)-tert-butyl 2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate(1548343-96-9)

Safety Data

• Hazardous Substances Data: 1548343-96-9(Hazardous Substances Data)

Upstream product

• 51077-14-6 (S)-1-(t-butoxycarbonyl)azetidine-2-carboxylic acid 
• 1548344-25-7 (S)-tert-butyl 2-(5-chloro-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidine-1-carboxylate 
• 98-80-6 phenylboronic acid 
• 1548339-08-7 1-amino-3-chloro-1H-pyrrole-2-carboxamide 
• 753447-98-2 methyl 1-amino-3-chloro-1H-pyrrole-2-carboxylate 
• 226410-00-0 3-chloro-1H-pyrrole-2-carboxylic acid methyl ester 

Downstream Products

• 1549766-06-4 (S)-2-(1-(5-acetyl-2-aminopyrimidin-4-yl)azetidin-2-yl)-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one 
• 1548332-62-2 (S)-4-(2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile 
• 1548338-81-3 (S)-2-(1-(5-acetyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)azetidin-2-yl)-5-chloro-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one 
• 1549737-54-3 (S)-2-amino-4-(2-(5-chloro-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)azetidin-1-yl)pyrimidine-5-carbonitrile 
• 1549738-36-4 (S)-2-(1-(2-amino-5-ethynylpyrimidin-4-yl)azetidin-2-yl)-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one 
• 1549738-30-8 (S)-2-(1-(2-amino-5-chloropyrimidin-4-yl)azetidin-2-yl)-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one 
• 1548332-64-4 (S)-2-(1-(9H-purin-6-yl)azetidin-2-yl)-5-chloro-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4(3H)-one 
• 1548335-97-2 (S)-5-chloro-2-(1-(2-morpholino-9H-purin-6-yl)azetidin-2-yl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one 
• 1548343-33-4 (S)-5-chloro-2-(1-(2-morpholino-9H-purin-6-yl)azetidin-2-yl)-3-phenylpyrrolo[1,2-f][1,2,4]triazin-4(3H)-one 
• 1548341-48-5 (S)-2-(azetidin-2-yl)-5-chloro-3-phenylpyrrolo[ 1,2-f][1,2,4]triazin-4(3H)-one hydrochloride 

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.