1049730-42-8

Basic information

• Product Name: 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole
• Synonyms: 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole;1-(2,2,2-trifluoroethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole;(1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-4-YL)BORONIC ACID PINACOL ESTER
• CAS NO: 1049730-42-8
• Molecular Formula: C₁₁H₁₆BF₃N₂O₂
• Molecular Weight: 276.0631496
• EINECS: -0
• Mol File: 1049730-42-8.mol
• Article Data: 20

Chemical Properties

• Appearance: /
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole(1049730-42-8)
• EPA Substance Registry System: 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole(1049730-42-8)

Safety Data

• Hazardous Substances Data: 1049730-42-8(Hazardous Substances Data)

Usage

General Description

4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole is a chemical compound used in organic synthesis and chemical research. It is a pyrazole derivative that contains a boron atom, and a trifluoroethyl group, making it useful for a variety of chemical reactions. 4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-pyrazole is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. Its unique structure and reactivity make it a valuable tool in the development of new compounds and materials for a range of applications.

Upstream product

• 269410-08-4 pyrazole-4-boronic acid pinacol ester 
• 353-83-3 1,1,1-trifluoro-2-iodoethane 
• 6226-25-1 2,2,2-trifluoroethyl trifluoromethanesulphonate 
• 847818-70-6 1-ethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrazole 
• 25236-64-0 2,2,2-trifluoroethyl methanesulfonate 

Relevant articles and documents

Optimization of brain-penetrant picolinamide derived leucine-rich repeat kinase 2 (LRRK2) inhibitors

The discovery of potent, kinome selective, brain penetrant LRRK2 inhibitors is the focus of extensive research seeking new, disease-modifying treatments for Parkinson's disease (PD). Herein, we describe the discovery and evolution of a picolinamide-derived lead series. Our initial optimization efforts aimed at improving the potency and CLK2 off-target selectivity of compound1by modifying the heteroaryl C-H hinge and linker regions. This resulted in compound12which advanced deep into our research operating plan (ROP) before heteroaryl aniline metabolite14was characterized as Ames mutagenic, halting its progression. Strategic modifications to our ROP were made to enable early de-risking of putative aniline metabolites or hydrolysis products for mutagenicity in Ames. This led to the discovery of 3,5-diaminopyridine15and 4,6-diaminopyrimidine16as low risk for mutagenicity (defined by a 3-strain Ames negative result). Analysis of key matched molecular pairs17and18led to the prioritization of the 3,5-diaminopyridine sub-series for further optimization due to enhanced rodent brain penetration. These efforts culminated in the discovery of ethyl trifluoromethyl pyrazole23with excellent LRRK2 potency and expanded selectivityversusoff-target CLK2.

HETEROCYCLIC COMPOUNDS AS DELTA-5 DESATURASE INHIBITORS AND METHODS OF USE

The present disclosure provides compounds useful for the inhibition of Delta-5 Desaturase ("D5D"). The compounds have a general Formula (I): wherein the variables of Formula (I) are defined herein. This disclosure also provides pharmaceutical compositions comprising the compounds, uses of the compounds, and compositions for treatment of, for example, a metabolic or cardiovascular disorder. Further, the disclosure provides intermediates useful in the synthesis of compounds of Formula (I).

HETEROARYLBENZIMIDAZOLE COMPOUNDS

The present invention covers heteroarylbenzimidazole compounds of general formula (I) in which R1, R2, R3, R4 and R5 are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment or prophylaxis of diseases, in particular of hyperproliferative and/or inflammatory disorders, as a sole agent or in combination with other active ingredients.