structure of 3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid

3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid

CAS No.: 1000931-71-4
M. Wt: 222.20
M. Fa: C9H10N4O3
InChI Key: UCAUVNVDANIZHI-UHFFFAOYSA-N

Names and Identifiers of 1000931-71-4

CAS Number

1000931-71-4

EC Number

979-358-3

IUPAC Name

3-(1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoic acid

InChI

InChI=1S/C9H10N4O3/c1-13-8-5(4-10-13)9(16)12-6(11-8)2-3-7(14)15/h4H,2-3H2,1H3,(H,14,15)(H,11,12,16)

InChIKey

UCAUVNVDANIZHI-UHFFFAOYSA-N

Canonical SMILES

CN1C2=C(C=N1)C(=O)NC(=N2)CCC(=O)O

Physical and chemical properties of 1000931-71-4

Acidity coefficient

4.10±0.10(Predicted)

Boiling Point

507.3±56.0 °C(Predicted)

Density

1.62±0.1 g/cm3(Predicted)

Molecular Formula

C9H10N4O3

Molecular Weight

222.20

Safety Information of 1000931-71-4

Pictograms

Signal Word

 Warning

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

Applications of 1000931-71-4

The unique structure of 3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid suggests several potential applications:

  • Pharmaceutical Development: As a lead compound in drug discovery targeting cancer or inflammatory diseases.
  • Biochemical Research: Utilized in studies investigating enzyme inhibition or receptor binding due to its structural properties.
  • Material Science: Potential use in developing novel materials with specific electronic or optical properties.

Interaction Studies of 1000931-71-4

Interaction studies involving 3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid are crucial for understanding its biological effects. These studies may include:

  • Binding Affinity Tests: Evaluating how well the compound binds to specific biological targets (e.g., enzymes or receptors).
  • Cellular Uptake Studies: Investigating how efficiently cells absorb the compound and its subsequent effects on cellular functions.
  • In Vivo Studies: Assessing the pharmacokinetics and pharmacodynamics of the compound in animal models.

Such studies provide insights into the therapeutic potential and safety profile of this compound.

Biological Activity of 1000931-71-4

Preliminary studies suggest that 3-{1-methyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-6-yl}propanoic acid may exhibit various biological activities. Compounds with similar structures have been investigated for their potential as:

  • Antitumor agents: Some derivatives of pyrazolo[3,4-d]pyrimidines have shown promise in inhibiting cancer cell proliferation.
  • Anti-inflammatory agents: The presence of the pyrazole ring may contribute to anti-inflammatory properties.
  • Antimicrobial activity: Certain analogs have demonstrated effectiveness against bacterial and fungal strains.

Further research is necessary to elucidate the specific biological mechanisms and therapeutic potentials of this compound.