structure of methyl 5-amino-1H-indazole-6-carboxylate

methyl 5-amino-1H-indazole-6-carboxylate

CAS No.: 1000373-79-4
M. Wt: 191.18700
M. Fa: C9H9N3O2
InChI Key: LMEIFDLPUOSPCQ-UHFFFAOYSA-N
Appearance: Yellow Solid

Names and Identifiers of 1000373-79-4

CAS Number

1000373-79-4

MDL Number

MFCD24642226

IUPAC Name

methyl 5-amino-1H-indazole-6-carboxylate

InChI

InChI=1S/C9H9N3O2/c1-14-9(13)6-3-8-5(2-7(6)10)4-11-12-8/h2-4H,10H2,1H3,(H,11,12)

InChIKey

LMEIFDLPUOSPCQ-UHFFFAOYSA-N

Canonical SMILES

COC(=O)C1=C(C=C2C=NNC2=C1)N

UNSPSC Code

12352100

Physical and chemical properties of 1000373-79-4

Acidity coefficient

12.95±0.40(Predicted)

Boiling Point

408.8±25.0 °C(Predicted)

Density

1.413±0.06 g/cm3(Predicted)

Exact Mass

191.06900

LogP

1.51290

Molecular Formula

C9H9N3O2

Molecular Weight

191.18700

PSA

81.00000

Storage condition

2-8°C(protect from light)

Safety Information of 1000373-79-4

Pictograms

Signal Word

 Warning

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

Applications of 1000373-79-4

Methyl 5-amino-1H-indazole-6-carboxylate has several potential applications:

  • Pharmaceutical Development: Its unique structure makes it a candidate for developing new drugs targeting various diseases, particularly in cancer therapy.
  • Chemical Synthesis: The compound serves as an intermediate in synthesizing more complex organic molecules and pharmaceuticals.

Interaction Studies of 1000373-79-4

Studies on the interactions of methyl 5-amino-1H-indazole-6-carboxylate with biological systems are crucial for understanding its pharmacological potential. Interaction studies may include:

  • Binding Affinity Tests: Evaluating how well the compound binds to specific receptors or enzymes.
  • Cell Line Studies: Assessing its effects on various cancer cell lines to determine cytotoxicity and mechanism of action.

Biological Activity of 1000373-79-4

The biological activity of methyl 5-amino-1H-indazole-6-carboxylate has been explored in various studies. It has shown promise as a potential pharmacological agent due to its interaction with biological targets. Specific activities may include:

  • Antimicrobial Properties: Some derivatives of indazole compounds exhibit antibacterial and antifungal activities.
  • Anticancer Potential: Research indicates that indazole derivatives can inhibit cancer cell proliferation, suggesting that methyl 5-amino-1H-indazole-6-carboxylate may also possess similar properties.

Physical sample testing spectrum (NMR) of 1000373-79-4

Physical sample testing spectrum (NMR) of 1000373-79-4