structure of 6-Bromo-5-methyl-1H-indazole

6-Bromo-5-methyl-1H-indazole

CAS No.: 1000343-69-0
M. Wt: 211.059
M. Fa: C8H7BrN2
InChI Key: YLLZDOJZLKUKEA-UHFFFAOYSA-N
Appearance: Brown Solid

Names and Identifiers of 6-Bromo-5-methyl-1H-indazole

CAS Number

1000343-69-0

EC Number

640-609-4

MDL Number

MFCD09026997

IUPAC Name

6-bromo-5-methyl-1H-indazole

InChI

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

InChIKey

YLLZDOJZLKUKEA-UHFFFAOYSA-N

Canonical SMILES

CC1=CC2=C(C=C1Br)NN=C2

UNSPSC Code

12352100

Physical and chemical properties of 6-Bromo-5-methyl-1H-indazole

Acidity coefficient

13.01±0.40(Predicted)

Boiling Point

344.6±22.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

209.979248

Flash Point

162.2±22.3 °C

Index of Refraction

1.697

LogP

3.05

Molecular Formula

C8H7BrN2

Molecular Weight

211.059

PSA

28.68000

Storage condition

2-8°C(protect from light)

Vapour Pressure

0.0±0.7 mmHg at 25°C

Safety Information of 6-Bromo-5-methyl-1H-indazole

Pictograms

Signal Word

 Warning

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

Applications of 6-Bromo-5-methyl-1H-indazole

6-Bromo-5-methyl-1H-indazole has diverse applications in research and industry:

  • Pharmaceutical Development: Its properties make it a candidate for drug development, particularly in oncology due to its anticancer effects.
  • Biochemical Research: It serves as a tool for studying enzyme interactions and cellular processes.
  • Chemical Synthesis: This compound is used as an intermediate in the synthesis of other complex organic molecules.

Interaction Studies of 6-Bromo-5-methyl-1H-indazole

Studies have shown that 6-Bromo-5-methyl-1H-indazole interacts with various biomolecules, including enzymes and receptors. Its mechanism of action typically involves binding to specific active sites on enzymes, thereby inhibiting their activity. This interaction can lead to significant changes in cellular processes, including modulation of cell signaling pathways and gene expression.

Biological Activity of 6-Bromo-5-methyl-1H-indazole

6-Bromo-5-methyl-1H-indazole exhibits notable biological activities, including:

  • Anticancer Properties: It has been shown to inhibit the proliferation of cancer cells by interfering with specific signaling pathways that promote cell growth.
  • Antiangiogenic Effects: The compound may inhibit the formation of new blood vessels, which is crucial in tumor growth and metastasis.
  • Antioxidant Activity: It can neutralize free radicals, contributing to cellular protection against oxidative stress.

Physical sample testing spectrum (NMR) of 6-Bromo-5-methyl-1H-indazole

Physical sample testing spectrum (NMR) of 6-Bromo-5-methyl-1H-indazole