structure of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

CAS No.: 1000343-52-1
M. Wt: 288.085
M. Fa: C9H9IN2O
InChI Key: -

Names and Identifiers of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

CAS Number

1000343-52-1

IUPAC Name

3-iodanyl-5-methoxy-6-methyl-2H-indazole

Canonical SMILES

CC1=CC2=NNC(=C2C=C1OC)I

Physical and chemical properties of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

Boiling Point

396.2±37.0 °C at 760 mmHg

Density

1.8±0.1 g/cm3

Exact Mass

287.975952

Flash Point

193.4±26.5 °C

Index of Refraction

1.703

LogP

3.53

Molecular Formula

C9H9IN2O

Molecular Weight

288.085

PSA

37.91000

Storage condition

2-8°C

Vapour Pressure

0.0±0.9 mmHg at 25°C

Applications of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

3-Iodo-5-methoxy-6-methyl-1H-indazole has potential applications in various fields:

  • Pharmaceutical Development: Its biological activity makes it a candidate for drug development, particularly in oncology.
  • Chemical Research: As a versatile intermediate, it can be used in synthesizing more complex indazole derivatives for further research into their properties and activities.

Interaction Studies of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

Interaction studies have focused on how 3-Iodo-5-methoxy-6-methyl-1H-indazole interacts with biological systems:

  • Protein Binding: The compound's ability to bind to proteins involved in drug metabolism suggests significant implications for pharmacokinetics.
  • Receptor Interaction: Investigations into its interaction with various receptors have highlighted its potential as a lead compound for developing new therapeutic agents targeting specific pathways.

Biological Activity of 3-IODO-5-METHOXY-6-METHYL (1H)INDAZOLE

3-Iodo-5-methoxy-6-methyl-1H-indazole exhibits notable biological activities:

  • Anticancer Properties: Compounds within the indazole class have been studied for their potential anticancer effects. Research indicates that substitutions on the indazole scaffold can enhance cytotoxicity against various cancer cell lines.
  • Inhibition of Enzymes: This compound has been identified as a potential inhibitor of cytochrome P450 enzymes, particularly CYP1A2, indicating its relevance in drug metabolism and pharmacokinetics.