structure of [1,2,4]Triazolo[1,5-a]pyrimidine-7-carboxylic acid

[1,2,4]Triazolo[1,5-a]pyrimidine-7-carboxylic acid

CAS No.: 1000930-72-2
M. Wt: 164.12200
M. Fa: C6H4N4O2
InChI Key: XKPHOIBYGSRXTJ-UHFFFAOYSA-N

Names and Identifiers of 1000930-72-2

CAS Number

1000930-72-2

EC Number

862-570-4

IUPAC Name

[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid

InChI

InChI=1S/C6H4N4O2/c11-5(12)4-1-2-7-6-8-3-9-10(4)6/h1-3H,(H,11,12)

InChIKey

XKPHOIBYGSRXTJ-UHFFFAOYSA-N

Canonical SMILES

C1=C(N2C(=NC=N2)N=C1)C(=O)O

Physical and chemical properties of 1000930-72-2

Exact Mass

164.03300

Molecular Formula

C6H4N4O2

Molecular Weight

164.12200

PSA

80.38000

Safety Information of 1000930-72-2

Pictograms

Signal Word

 Warning

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

Applications of 1000930-72-2

The applications of [1,2,4]Triazolo[1,5-a]pyrimidine-7-carboxylic acid span several fields:

  • Pharmaceutical Development: Its potential as an antimicrobial and anticancer agent makes it a candidate for drug development.
  • Agricultural Chemicals: Compounds with similar structures are often explored as agrochemicals due to their biological activity against pests and pathogens.
  • Research Tools: Its unique structure allows it to serve as a scaffold for developing new compounds in medicinal chemistry research.

Interaction Studies of 1000930-72-2

Interaction studies involving [1,2,4]Triazolo[1,5-a]pyrimidine-7-carboxylic acid often focus on its binding affinity to various biological targets. Techniques such as:

  • Molecular Docking: This computational method predicts how the compound interacts with proteins or enzymes at the molecular level.
  • In Vitro Assays: These experiments assess the biological effects of the compound on cell lines or isolated tissues.
  • High-throughput Screening: Used to evaluate multiple derivatives for their biological activity against specific targets.

These studies help elucidate the mechanisms by which this compound exerts its effects and guide further development.

Biological Activity of 1000930-72-2

The biological activity of [1,2,4]Triazolo[1,5-a]pyrimidine-7-carboxylic acid has been explored in various studies. It exhibits potential:

  • Antimicrobial Activity: Research indicates that this compound may inhibit the growth of certain bacterial strains.
  • Anticancer Properties: Preliminary studies suggest that it could induce apoptosis in cancer cells through various mechanisms.
  • Anti-inflammatory Effects: Some derivatives have shown promise in reducing inflammation markers in vitro.

The specific mechanisms of action are often linked to its ability to interact with specific enzymes or receptors within biological systems.