1022092-33-6

Basic information

• Product Name: 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile
• Synonyms: 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile;3-[4-(tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanenitrile;3-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanenitrile;-1H-pyrazole-1-propanenitrile
• CAS NO: 1022092-33-6
• Molecular Formula: C₁₂H₁₈BN₃O₂
• Molecular Weight: 247.10122
• Mol File: 1022092-33-6.mol

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)-1H-pyrazole-1-propanenitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile(1022092-33-6)
• EPA Substance Registry System: 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile(1022092-33-6)

Safety Data

• Hazardous Substances Data: 1022092-33-6(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile is used as a key intermediate in the synthesis of bicyclic BET bromodomain inhibitors. Bromodomain and extra-terminal (BET) proteins play a crucial role in regulating gene expression and are implicated in various diseases, including cancer and inflammatory disorders. 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile serves as a building block for developing novel therapeutic agents targeting these proteins, potentially leading to treatments for a range of conditions.
Used in Organic Synthesis:
In the realm of organic synthesis, 4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile is utilized as a versatile reactant for the preparation of various complex organic molecules. Its tetramethyl-1,3,2-dioxaborolan-2-yl group allows for selective cross-coupling reactions, which are essential for constructing molecular frameworks with precise control over connectivity and stereochemistry. This makes it a valuable tool for the synthesis of pharmaceuticals, agrochemicals, and other specialty chemicals.

Upstream product

• 269410-08-4 pyrazole-4-boronic acid pinacol ester 
• 2417-90-5 bromopropionitrile 
• 1007518-24-2 3-(4-bromo-1H-pyrazol-1-yl)propanenitrile 
• 73183-34-3 bis(pinacol)diborane 
• 107-13-1 acrylonitrile 

Relevant articles and documents

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).

AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF

Disclosed herein is an aminopyrazine compound of Formula (I), or a stereoisomer thereof, or a pharmaceutically acceptable salt thereof, and pharmaceutical compositions comprising thereof. Also disclosed is a method of treating HPK1 related disorders or diseases by using the compound disclosed herein.

Structural Insights into JAK2 Inhibition by Ruxolitinib, Fedratinib, and Derivatives Thereof

The discovery that aberrant activity of Janus kinase 2 (JAK2) is a driver of myeloproliferative neoplasms (MPNs) has led to significant efforts to develop small molecule inhibitors for this patient population. Ruxolitinib and fedratinib have been approved for use in MPN patients, while baricitinib, an achiral analogue of ruxolitinib, has been approved for rheumatoid arthritis. However, structural information on the interaction of these therapeutics with JAK2 remains unknown. Here, we describe a new methodology for the large-scale production of JAK2 from mammalian cells, which enabled us to determine the first crystal structures of JAK2 bound to these drugs and derivatives thereof. Along with biochemical and cellular data, the results provide a comprehensive view of the shape complementarity required for chiral and achiral inhibitors to achieve highest activity, which may facilitate the development of more effective JAK2 inhibitors as therapeutics.

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.

HETEROARYL COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF

The present invention provides herein is a heteroaryl compound or a stereoisomer, a geometric isomer, a tautomer, a racemate, an N-oxide, a hydrate, a solvate, a metabolite, a pharmaceutically acceptable salt or a prodrug thereof, as well as a pharmaceutical composition containing the compound disclosed herein. The present invention also provides herein is use of the compound or the pharmaceutical composition thereof disclosed herein in the manufacture of a medicine for treating autoimmune diseases or proliferative diseases.

4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS

The present invention relates to substituted heterocyclic compounds of Formula (I) or pharmaceutically acceptable salts or N-oxides or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, which are histamine H4 receptor inhibitors/antagonists useful in the treatment of histamine H4 receptor-associated conditions or diseases or disorders including, for example, inflammatory diseases or disorders, pruritus, and pain.

5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS

The present invention relates to compounds of formula (I) or pharmaceutical acceptable salts, wherein A, R1, R2, R3 and m, are defined in the description. The present invention relates also to methods of making said compounds, and compositions containing said compounds which are useful for inhibiting kinases such as Glycogen Synthase kinase 3 (GSK-3), Rho kinase (ROCK), Janus Kinases (JAK), AKT, PAK4, PLK, CK2, KDR, MK2, JNK1, aurora, pim 1 and nek 2.