1362243-56-8

Basic information

• Product Name: 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole
• Synonyms: 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole
• CAS NO: 1362243-56-8
• Molecular Formula: C13H18BN3O2
• Molecular Weight: 259.11192
• Mol File: 1362243-56-8.mol

Chemical Properties

• Boiling Point: 409.0±18.0 °C(Predicted)
• Appearance: /
• Density: 1.17±0.1 g/cm3(Predicted)
• PKA: 1.41±0.30(Predicted)
• CAS DataBase Reference: 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole(1362243-56-8)
• EPA Substance Registry System: 1-Methyl-6-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d][1,2,3]triazole(1362243-56-8)

Safety Data

• Hazardous Substances Data: 1362243-56-8(Hazardous Substances Data)

Usage

Structure

Benzotriazole derivative containing a boron atom

Type of compound

Complex chemical compound

Usage

Building block in organic synthesis, protective and stabilizing agent in chemical reactions, used in pharmaceutical and agrochemical industries

Unique property

Boron-containing structure, useful in organometallic chemistry and catalytic reactions.

Upstream product

• 1083181-43-4 6-bromo-1-methyl-1H-1,2,3-benzotriazole 
• 73183-34-3 bis(pinacol)diborane 
• 32046-62-1 5-bromo-1H-benzotriazole 
• 74-88-4 methyl iodide 

Relevant articles and documents

Discovery and Structure–Activity Relationships of N-Aryl 6-Aminoquinoxalines as Potent PFKFB3 Kinase Inhibitors

Energy and biomass production in cancer cells are largely supported by aerobic glycolysis in what is called the Warburg effect. The process is regulated by key enzymes, among which phosphofructokinase PFK-2 plays a significant role by producing fructose-2,6-biphosphate; the most potent activator of the glycolysis rate-limiting step performed by phosphofructokinase PFK-1. Herein, the synthesis, biological evaluation and structure–activity relationship of novel inhibitors of 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 (PFKFB3), which is the ubiquitous and hypoxia-induced isoform of PFK-2, are reported. X-ray crystallography and docking were instrumental in the design and optimisation of a series of N-aryl 6-aminoquinoxalines. The most potent representative, N-(4-methanesulfonylpyridin-3-yl)-8-(3-methyl-1-benzothiophen-5-yl)quinoxalin-6-amine, displayed an IC50 of 14 nm for the target and an IC50 of 0.49 μm for fructose-2,6-biphosphate production in human colon carcinoma HCT116 cells. This work provides a new entry in the field of PFKFB3 inhibitors with potential for development in oncology.

3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR

The present invention is directed to pyrazol-4-yl-pyridine compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M4 muscarinic acetylcholine receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M4 muscarinic acetylcholine receptors are involved.

SUBSTITUTED QUINOXALINE DERIVATIVES

The present invention relates to substituted quinoxaline derivatives. These compounds are useful for the prevention and/or treatment of several medical conditions including hyperproliferative disorders and diseases.