structure of 3-Amino-7-methyl-1H-indazole

3-Amino-7-methyl-1H-indazole

CAS No.: 1000343-59-8
M. Wt: 147.177
M. Fa: C8H9N3
InChI Key: JYTHNNWTAZPKPW-UHFFFAOYSA-N
Appearance: Solid

Names and Identifiers of 3-Amino-7-methyl-1H-indazole

CAS Number

1000343-59-8

MDL Number

MFCD09880079

IUPAC Name

7-methyl-1H-indazol-3-amine

InChI

InChI=1S/C8H9N3/c1-5-3-2-4-6-7(5)10-11-8(6)9/h2-4H,1H3,(H3,9,10,11)

InChIKey

JYTHNNWTAZPKPW-UHFFFAOYSA-N

Canonical SMILES

CC1=C2C(=CC=C1)C(=NN2)N

UNSPSC Code

12352100

Physical and chemical properties of 3-Amino-7-methyl-1H-indazole

Boiling Point

380.5±22.0 °C at 760 mmHg

Density

1.295±0.06 g/cm3

Exact Mass

147.079651

Flash Point

212.0±9.5 °C

H Bond Acceptors

2

H Bond Donors

2

Index of Refraction

1.737

LogP

1.67

Melting Point

187-189 ºC

Molecular Formula

C8H9N3

Molecular Weight

147.177

PSA

54.70000

Vapour Pressure

0.0±0.9 mmHg at 25°C

Water Solubility

Very slightly soluble (0.72 g/L) (25 ºC)

Safety Information of 3-Amino-7-methyl-1H-indazole

Pictograms

Signal Word

Warning

Safety Data Sheet

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

Applications of 3-Amino-7-methyl-1H-indazole

3-Amino-7-methyl-1H-indazole serves multiple roles in scientific research and industry:

  • Pharmaceutical Development: Its derivatives are explored for their potential as anticancer and antimicrobial agents.
  • Synthetic Chemistry: Acts as a building block in the synthesis of more complex heterocyclic compounds.
  • Material Science: Investigated for its properties in developing new materials due to its unique structure.

Interaction Studies of 3-Amino-7-methyl-1H-indazole

Studies involving interaction assessments indicate that 3-amino-7-methyl-1H-indazole may interact with various biological targets:

  • Enzyme Inhibition: Research has shown that indazole derivatives can inhibit key enzymes involved in cancer progression.
  • Receptor Binding: Its structural characteristics allow it to bind to specific receptors, potentially modulating biological responses.

These interactions suggest its utility in drug design and development.

Biological Activity of 3-Amino-7-methyl-1H-indazole

Research indicates that 3-amino-7-methyl-1H-indazole exhibits significant biological activities, particularly in the realm of antimicrobial and anticancer properties. Its structural similarity to other bioactive indazole derivatives suggests potential interactions with biological targets such as enzymes and receptors.

  • Antitumor Activity: Indazole derivatives have been shown to act as effective hinge-binding fragments in tyrosine kinase inhibitors, enhancing their anticancer efficacy.
  • Antimicrobial Properties: Some studies have reported antibacterial activity associated with related indazole compounds, indicating that 3-amino-7-methyl-1H-indazole may also possess similar properties.

Physical sample testing spectrum (NMR) of 3-Amino-7-methyl-1H-indazole

Physical sample testing spectrum (NMR) of 3-Amino-7-methyl-1H-indazole

Retrosynthesis analysis of 3-Amino-7-methyl-1H-indazole

  • Route#1

    Cas:1219024-56-2
    Cas:1000343-59-8