structure of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

CAS No.: 1000342-64-2
M. Wt: 303.057
M. Fa: C8H6IN3O2
InChI Key: -

Names and Identifiers of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

CAS Number

1000342-64-2

IUPAC Name

3-iodanyl-6-methyl-7-nitro-2H-indazole

Canonical SMILES

CC1=C(C2=NNC(=C2C=C1)I)[N+](=O)[O-]

Physical and chemical properties of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

Boiling Point

453.9±40.0 °C at 760 mmHg

Density

2.1±0.1 g/cm3

Exact Mass

302.950470

Flash Point

228.3±27.3 °C

Index of Refraction

1.779

LogP

3.24

Molecular Formula

C8H6IN3O2

Molecular Weight

303.057

PSA

74.50000

Storage condition

2-8°C(protect from light)

Vapour Pressure

0.0±1.1 mmHg at 25°C

Applications of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

3-Iodo-6-methyl-7-nitro-1H-indazole has potential applications across various fields:

  • Pharmaceuticals: Due to its biological activity, this compound may serve as a lead structure for drug development targeting specific diseases.
  • Chemical Research: It can be used as a reagent in organic synthesis and material science for creating novel compounds.
  • Biochemical Studies: Its interactions with biological molecules make it suitable for studies aimed at understanding enzyme mechanisms or receptor activities .

Interaction Studies of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

Interaction studies involving 3-Iodo-6-methyl-7-nitro-1H-indazole focus on its binding affinity to various biological targets. These studies often employ techniques such as:

  • Molecular Docking: To predict how the compound interacts with specific proteins or enzymes.
  • In vitro Assays: To evaluate its efficacy against microbial strains or cancer cell lines.

Preliminary findings suggest that this compound may inhibit certain cytochrome P450 enzymes, which are crucial for drug metabolism .

Biological Activity of 1H-INDAZOLE, 3-IODO-6-METHYL-7-NITRO-

Research indicates that compounds related to indazole structures exhibit a range of biological activities, including antimicrobial, anticancer, and anti-inflammatory properties. Specifically, 3-Iodo-6-methyl-7-nitro-1H-indazole has shown potential as an inhibitor of certain enzymes and receptors involved in disease processes. Its structural features may enhance its interaction with biological targets, leading to significant pharmacological effects .