structure of 7-Bromo-1-methyl-1H-indazole

7-Bromo-1-methyl-1H-indazole

CAS No.: 1000576-59-9
M. Wt: 211.059
M. Fa: C8H7BrN2
InChI Key: JPFIGGYULRKROG-UHFFFAOYSA-N
Appearance: White Solid

Names and Identifiers of 7-Bromo-1-methyl-1H-indazole

CAS Number

1000576-59-9

EC Number

802-612-0

MDL Number

MFCD09878570

IUPAC Name

7-bromo-1-methylindazole

InChI

InChI=1S/C8H7BrN2/c1-11-8-6(5-10-11)3-2-4-7(8)9/h2-5H,1H3

InChIKey

JPFIGGYULRKROG-UHFFFAOYSA-N

Canonical SMILES

CN1C2=C(C=CC=C2Br)C=N1

UNSPSC Code

12352100

Physical and chemical properties of 7-Bromo-1-methyl-1H-indazole

Boiling Point

293.6±13.0 °C at 760 mmHg

Density

1.6±0.1 g/cm3

Exact Mass

209.979248

Flash Point

131.4±19.8 °C

Index of Refraction

1.663

LogP

2.70

Molecular Formula

C8H7BrN2

Molecular Weight

211.059

PSA

17.82000

Storage condition

2-8°C(protect from light)

Vapour Pressure

0.0±0.6 mmHg at 25°C

Safety Information of 7-Bromo-1-methyl-1H-indazole

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 7-Bromo-1-methyl-1H-indazole

7-Bromo-1-methyl-1H-indazole finds applications in several fields:

  • Medicinal Chemistry: It serves as a building block for synthesizing pharmaceuticals targeting cancer and infectious diseases.
  • Research Tool: The compound is used in biochemical research to study enzyme interactions and mechanisms of action.
  • Material Science: Its unique properties may also lend themselves to applications in developing new materials or catalysts.

Interaction Studies of 7-Bromo-1-methyl-1H-indazole

Studies on 7-Bromo-1-methyl-1H-indazole have focused on its interactions with biological targets:

  • Enzyme Interactions: Research has shown that it can inhibit specific enzymes involved in metabolic pathways, suggesting potential therapeutic applications.
  • Receptor Binding Studies: Investigations into its binding affinity to various receptors have indicated that it may modulate receptor activity, influencing physiological responses.

Biological Activity of 7-Bromo-1-methyl-1H-indazole

Research indicates that 7-Bromo-1-methyl-1H-indazole exhibits significant biological activities, including:

  • Anticancer Properties: It has been studied for its potential in cancer therapy, particularly against various cancer cell lines.
  • Antibacterial and Antiviral Activities: The compound shows promise in medicinal chemistry as a component for developing antibacterial and antiviral agents.
  • Enzyme Inhibition: It has been noted for its ability to inhibit certain enzymes, which may be beneficial in treating diseases related to enzyme dysregulation.

Physical sample testing spectrum (NMR) of 7-Bromo-1-methyl-1H-indazole

Physical sample testing spectrum (NMR) of 7-Bromo-1-methyl-1H-indazole