structure of 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carboxylic acid

1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carboxylic acid

CAS No.: 1000576-23-7
M. Wt: 246.26200
M. Fa: C13H14N2O3
InChI Key: SFBZBDJWQOVUGI-UHFFFAOYSA-N
Appearance: Pale-yellow Solid

Names and Identifiers of 1000576-23-7

CAS Number

1000576-23-7

EC Number

811-912-0

IUPAC Name

1-(oxan-2-yl)indazole-4-carboxylic acid

InChI

InChI=1S/C13H14N2O3/c16-13(17)9-4-3-5-11-10(9)8-14-15(11)12-6-1-2-7-18-12/h3-5,8,12H,1-2,6-7H2,(H,16,17)

InChIKey

SFBZBDJWQOVUGI-UHFFFAOYSA-N

Canonical SMILES

C1CCOC(C1)N2C3=CC=CC(=C3C=N2)C(=O)O

Physical and chemical properties of 1000576-23-7

Exact Mass

246.10000

LogP

2.43360

Molecular Formula

C13H14N2O3

Molecular Weight

246.26200

PSA

64.35000

Safety Information of 1000576-23-7

Pictograms

Signal Word

 Warning

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

Applications of 1000576-23-7

The applications of 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carboxylic acid span several fields:

  • Pharmaceutical Development: Its potential biological activities make it a candidate for drug development targeting various diseases.
  • Chemical Research: As a building block in organic synthesis, it can be utilized to create more complex molecules.
  • Agricultural Chemistry: Investigations into its efficacy as a pesticide or herbicide are ongoing due to its structural similarities with known agrochemicals.

These applications reflect its significance in both medicinal chemistry and industrial applications.

Interaction Studies of 1000576-23-7

Interaction studies involving 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carboxylic acid focus on its binding affinity to biological targets. Preliminary data suggest:

  • Protein Binding: Investigations using techniques such as surface plasmon resonance may reveal how this compound interacts with specific proteins involved in disease pathways.
  • Enzyme Inhibition: Studies assessing its effects on enzyme activity could provide insights into its mechanism of action as a therapeutic agent.

Understanding these interactions is crucial for predicting pharmacokinetics and optimizing therapeutic efficacy.

Biological Activity of 1000576-23-7

Research into the biological activity of 1-(Tetrahydro-2H-pyran-2-yl)-1H-indazole-4-carboxylic acid suggests potential pharmacological applications. Compounds with indazole structures are often investigated for their anti-inflammatory, analgesic, and anti-cancer properties. Preliminary studies indicate that this compound may exhibit:

  • Antimicrobial Activity: Potential efficacy against various bacterial strains.
  • Cytotoxic Effects: Inhibition of cancer cell proliferation in vitro.
  • Anti-inflammatory Properties: Modulation of inflammatory pathways.

Further research is necessary to fully elucidate its mechanisms and therapeutic potential.

Physical sample testing spectrum (NMR) of 1000576-23-7

Physical sample testing spectrum (NMR) of 1000576-23-7