structure of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

CAS No.: 1000342-47-1
M. Wt: 323.475
M. Fa: C7H3ClIN3O2
InChI Key: DBFHOJJVQRLTIO-UHFFFAOYSA-N

Names and Identifiers of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

CAS Number

1000342-47-1

MDL Number

MFCD08690112

IUPAC Name

6-chloro-3-iodo-5-nitro-1H-indazole

InChI

InChI=1S/C7H3ClIN3O2/c8-4-2-5-3(7(9)11-10-5)1-6(4)12(13)14/h1-2H,(H,10,11)

InChIKey

DBFHOJJVQRLTIO-UHFFFAOYSA-N

Canonical SMILES

O=[N+]([O-])C1=CC2=C(C=C1Cl)NN=C2I

UNSPSC Code

12352100

Physical and chemical properties of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

Boiling Point

485.5±40.0 °C at 760 mmHg

Density

2.3±0.1 g/cm3

Exact Mass

322.895844

Flash Point

247.4±27.3 °C

H Bond Acceptors

3

H Bond Donors

1

Index of Refraction

1.813

LogP

3.75

Molecular Formula

C7H3ClIN3O2

Molecular Weight

323.475

PSA

74.50000

Storage condition

2-8°C

Vapour Pressure

0.0±1.2 mmHg at 25°C

Safety Information of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

Pictograms

Signal Word

 Warning

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

Applications of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

6-Chloro-3-iodo-5-nitro-1H-indazole has several applications:

  • Medicinal Chemistry: It serves as a lead compound in the development of new anticancer agents due to its kinase inhibitory properties.
  • Research Tool: Used in biochemical studies to explore kinase signaling pathways and their implications in cancer biology.
  • Synthetic Intermediate: Acts as a building block for synthesizing more complex indazole derivatives with tailored biological activities.

Interaction Studies of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

Interaction studies involving 6-chloro-3-iodo-5-nitro-1H-indazole focus on its binding affinity to various kinases. These studies often utilize techniques such as:

  • Surface Plasmon Resonance: To measure real-time binding kinetics.
  • Molecular Docking Studies: To predict interaction sites and affinities with target proteins.

Such studies help elucidate the compound's potential as a therapeutic agent by identifying its specific targets within cellular pathways.

Biological Activity of 6-CHLORO-3-IODO-5-NITRO (1H)INDAZOLE

6-Chloro-3-iodo-5-nitro-1H-indazole has demonstrated significant biological activities, particularly in cancer research. It has been identified as a potential inhibitor of several kinases involved in cell proliferation and survival pathways. Its ability to modulate these pathways suggests potential therapeutic applications in treating various cancers.

Mechanism of Action

The compound's mechanism involves the inhibition of specific kinases, which play crucial roles in cellular processes like growth and apoptosis. By interfering with these pathways, it may induce apoptosis in cancer cells and inhibit tumor growth.