1031417-71-6

Basic information

• Product Name: 5-bromo-3,7-dimethyl-1H-indazole
• Synonyms: 5-bromo-3,7-dimethyl-1H-indazole;5-bromo-3,7-dimethyl-2H-indazole
• CAS NO: 1031417-71-6
• Molecular Formula: C9H9BrN2
• Molecular Weight: 225.08516
• Mol File: 1031417-71-6.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 357.2 °C at 760 mmHg
• Flash Point: 169.8 °C
• Appearance: /
• Density: 1.564 g/cm³
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 5-bromo-3,7-dimethyl-1H-indazole(CAS DataBase Reference)
• NIST Chemistry Reference: 5-bromo-3,7-dimethyl-1H-indazole(1031417-71-6)
• EPA Substance Registry System: 5-bromo-3,7-dimethyl-1H-indazole(1031417-71-6)

Safety Data

• Hazardous Substances Data: 1031417-71-6(Hazardous Substances Data)

Usage

General Description

5-bromo-3,7-dimethyl-1H-indazole is an organic compound with the formula C9H9BrN2. It is a derivative of indazole, a heterocyclic aromatic organic compound. The compound features a bromine atom at the 5-position and two methyl groups at the 3 and 7 positions of the indazole ring. It is commonly used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It has also been studied for its potential biological activities, including its antibacterial and antifungal properties. The compound is typically synthesized through various chemical reactions and is available for purchase from chemical suppliers for research and industrial use.

Upstream product

• 24549-06-2 6-ethyl-o-toluidine 
• 70598-49-1 4-bromo-2-ethyl-6-methylphenylamine 

Downstream Products

• 1031417-75-0 3,7-dimethyl-1H-indazole-5-carboxylic acid 

Relevant articles and documents

Maximizing lipophilic efficiency: The use of Free-Wilson analysis in the design of inhibitors of acetyl-CoA carboxylase

This paper describes the design and synthesis of a novel series of dual inhibitors of acetyl-CoA carboxylase 1 and 2 (ACC1 and ACC2). Key findings include the discovery of an initial lead that was modestly potent and subsequent medicinal chemistry optimization with a focus on lipophilic efficiency (LipE) to balance overall druglike properties. Free-Wilson methodology provided a clear breakdown of the contributions of specific structural elements to the overall LipE, a rationale for prioritization of virtual compounds for synthesis, and a highly successful prediction of the LipE of the resulting analogues. Further preclinical assays, including in vivo malonyl-CoA reduction in both rat liver (ACC1) and rat muscle (ACC2), identified an advanced analogue that progressed to regulatory toxicity studies.

KINASE INHIBITORS

A compound having the general structure of Formula (I) or a pharmaceutically acceptable salt, solvate, or ester thereof, are useful in treating diseases, disorders, or conditions such as immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease.