structure of 3-Bromo-6-methoxy-4-nitro-1H-indazole

3-Bromo-6-methoxy-4-nitro-1H-indazole

CAS No.: 1000341-13-8
M. Wt: 272.056
M. Fa: C8H6BrN3O3
InChI Key: JZUQOALONVLPBI-UHFFFAOYSA-N

Names and Identifiers of 3-Bromo-6-methoxy-4-nitro-1H-indazole

CAS Number

1000341-13-8

IUPAC Name

3-bromo-6-methoxy-4-nitro-2H-indazole

InChI

InChI=1S/C8H6BrN3O3/c1-15-4-2-5-7(8(9)11-10-5)6(3-4)12(13)14/h2-3H,1H3,(H,10,11)

InChIKey

JZUQOALONVLPBI-UHFFFAOYSA-N

Canonical SMILES

COC1=CC2=NNC(=C2C(=C1)[N+](=O)[O-])Br

Physical and chemical properties of 3-Bromo-6-methoxy-4-nitro-1H-indazole

Boiling Point

478.3±40.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

270.959259

Flash Point

243.1±27.3 °C

Index of Refraction

1.711

LogP

2.84

Molecular Formula

C8H6BrN3O3

Molecular Weight

272.056

PSA

83.73000

Vapour Pressure

0.0±1.2 mmHg at 25°C

Applications of 3-Bromo-6-methoxy-4-nitro-1H-indazole

3-Bromo-6-methoxy-4-nitro-1H-indazole has potential applications in:

  • Pharmaceutical Development: As a lead compound for developing new drugs targeting nitric oxide synthase-related diseases.
  • Research: In studies investigating the mechanisms of action of indazole derivatives and their biological effects.
  • Chemical Synthesis: As an intermediate in synthesizing more complex molecules in organic chemistry.

Interaction Studies of 3-Bromo-6-methoxy-4-nitro-1H-indazole

Studies on interaction profiles indicate that 3-Bromo-6-methoxy-4-nitro-1H-indazole may interact with various biological targets beyond nitric oxide synthases. It may influence other signaling pathways, making it a candidate for further pharmacological studies. Investigations into its binding affinity and selectivity against different enzymes could provide insights into its therapeutic potential .

Biological Activity of 3-Bromo-6-methoxy-4-nitro-1H-indazole

3-Bromo-6-methoxy-4-nitro-1H-indazole exhibits notable biological activities. Research indicates that indazole derivatives can act as inhibitors of nitric oxide synthases (NOS), which are important targets in the treatment of various diseases. The unique combination of substituents in this compound may enhance its potency and selectivity against specific isoforms of NOS, potentially offering therapeutic benefits in conditions characterized by excessive nitric oxide production.