structure of 7-Amino-4-fluoro-1,2-dihydro-3H-indazol-3-one

7-Amino-4-fluoro-1,2-dihydro-3H-indazol-3-one

CAS No.: 1000341-65-0
M. Wt: 167.140
M. Fa: C7H6FN3O
InChI Key: AIBMAXWDVAMDAE-UHFFFAOYSA-N

Names and Identifiers of 1000341-65-0

CAS Number

1000341-65-0

IUPAC Name

7-amino-4-fluoro-1,2-dihydroindazol-3-one

InChI

InChI=1S/C7H6FN3O/c8-3-1-2-4(9)6-5(3)7(12)11-10-6/h1-2H,9H2,(H2,10,11,12)

InChIKey

AIBMAXWDVAMDAE-UHFFFAOYSA-N

Canonical SMILES

C1=CC(=C2C(=C1N)NNC2=O)F

Physical and chemical properties of 1000341-65-0

Boiling Point

485.7±40.0 °C at 760 mmHg

Density

1.7±0.1 g/cm3

Exact Mass

167.049484

Flash Point

247.6±27.3 °C

Index of Refraction

1.799

LogP

0.69

Molecular Formula

C7H6FN3O

Molecular Weight

167.140

PSA

74.93000

Vapour Pressure

0.0±1.3 mmHg at 25°C

Applications of 1000341-65-0

7-Amino-4-fluoro-1,2-dihydro-3H-indazol-3-one has potential applications in various fields:

  • Pharmaceuticals: As an anti-inflammatory agent due to its role as a 5-lipoxygenase inhibitor.
  • Chemical Research: Used as an intermediate in synthesizing other biologically active compounds.
  • Material Science: Potential applications in developing new materials with specific electronic or optical properties due to its unique structure.

Interaction Studies of 1000341-65-0

Research into the interactions of 7-amino-4-fluoro-1,2-dihydro-3H-indazol-3-one with biological systems reveals its potential effects on inflammatory pathways. Studies have indicated that it does not induce significant levels of methaemoglobin at doses effective for inhibiting 5-lipoxygenase, suggesting a favorable safety profile for therapeutic use . Additionally, investigations into its pharmacokinetics and toxicity are essential for understanding its viability as a drug candidate.

Biological Activity of 1000341-65-0

This compound exhibits notable biological activities, particularly as an inhibitor of the enzyme 5-lipoxygenase (5-LO). Inhibition of this enzyme is significant because it plays a crucial role in the biosynthesis of leukotrienes, which are mediators involved in inflammatory responses and allergic conditions. By inhibiting 5-lipoxygenase, 7-amino-4-fluoro-1,2-dihydro-3H-indazol-3-one may be beneficial in treating conditions such as asthma and other inflammatory diseases .