1153949-15-5

Basic information

• Product Name: tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
• Synonyms: tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate
• CAS NO: 1153949-15-5
• Molecular Weight: 388.275
• Mol File: 1153949-15-5.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 539.9±40.0 °C(Predicted)
• Density: 1.16±0.1 g/cm3(Predicted)
• CAS DataBase Reference: tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate(1153949-15-5)
• EPA Substance Registry System: tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate(1153949-15-5)

Safety Data

• Hazardous Substances Data: 1153949-15-5(Hazardous Substances Data)

Usage

General Description

Tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate is a complex chemical compound that contains a cyanomethyl group, a tetramethyl-1,3,2-dioxaborolan-2-yl group, a pyrazol-1-yl group, and an azetidine-1-carboxylate group. The presence of these groups indicates that the compound is likely involved in organic synthesis and potentially has pharmaceutical or agricultural applications. The compound may also have properties that make it suitable for use in chemical reactions, catalysis, or as a building block for more complex molecules. Due to its complex structure and potential uses, tert-butyl 3-(cyanomethyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-1-carboxylate would require thorough analysis and testing to fully understand its properties and potential applications.

Upstream product

• 844501-71-9 3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
• 1153949-11-1 3-(cyanomethylene)azetidine-1-carboxylic acid tert-butyl ester 
• 1029716-44-6 1-(1-ethoxyethyl)-4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
• 141699-55-0 tert-butyl 3-hydroxyazetidine-1-carboxylate 
• 398489-26-4 tert-butyl 3-oxoazetidine-1-carboxylate 
• 269410-08-4 pyrazole-4-boronic acid pinacol ester 

Downstream Products

• 1334298-90-6 2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1H-pyrazol-1-yl)azetidin-3-yl)acetonitrile 
• 1334302-63-4 2-(3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-1-(1-(3-fluoro-2-(trifluoromethyl)isonicotinoyl)piperidin-4-yl)azetidin-3-yl)acetonitrile adipate 
• 1919837-50-5 2-(1-(ethanesulfonyl)-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)azetidine-3-yl)acetonitrile 
• 1187594-09-7 Baricitinib 
• 1416784-51-4 4-{3-(cyanomethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-3-fluoro-N-isopropylbenzamide 
• 1416785-12-0 4-{3-(cyanomethyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]azetidin-1-yl}-3-fluorobenzoic acid 

Relevant articles and documents

AN IMPROVED PROCESS FOR THE PREPARATION OF BARICITINIB

The present invention provides an improved process for the preparation of Baricitinib of formula (I),

Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases

Tyrosine kinase 2 (TYK2) is a member of the JAK kinase family that regulates signal transduction downstream of receptors for the IL-23/IL-12 pathways and type I interferon family, where it pairs with JAK2 or JAK1, respectively. On the basis of human genetic and emerging clinical data, a selective TYK2 inhibitor provides an opportunity to treat autoimmune diseases delivering a potentially differentiated clinical profile compared to currently approved JAK inhibitors. The discovery of an ATP-competitive pyrazolopyrazinyl series of TYK2 inhibitors was accomplished through computational and structurally enabled design starting from a known kinase hinge binding motif. With understanding of PK/PD relationships, a target profile balancing TYK2 potency and selectivity over off-target JAK2 was established. Lead optimization involved modulating potency, selectivity, and ADME properties which led to the identification of the clinical candidate PF-06826647 (22).

Compounds used as JAK inhibitor, and use of compounds

The invention provides compounds used as a JAK inhibitor, and a use of the compounds, and concretely provides compounds (represented by formula (I)) with JAK inhibition activity or a stereoisomer, a geometric isomer, a tautomer, a racemate, a nitrogen oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, and a medicinal composition including the compounds. The invention also discloses a use of the compounds or the medicinal composition thereof in the preparation of medicines used for treating autoimmune diseases or proliferative diseases.