structure of 4-methyl-12-oxa-2,3,7-triazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

4-methyl-12-oxa-2,3,7-triazatricyclo[7.4.0.0,2,6]trideca-1(9),3,5,7-tetraen-13-one

CAS No.: 1000932-81-9
M. Wt: 203.19700
M. Fa: C10H9N3O2
InChI Key: -

Names and Identifiers of 1000932-81-9

CAS Number

1000932-81-9

IUPAC Name

4-methyl-12-oxa-2,3,7-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-13-one

Canonical SMILES

CC1=NN2C(=C1)N=CC3=C2C(=O)OCC3

Physical and chemical properties of 1000932-81-9

Acidity coefficient

-0.36±0.20(Predicted)

Density

1.54±0.1 g/cm3(Predicted)

Exact Mass

203.06900

LogP

0.75060

Molecular Formula

C10H9N3O2

Molecular Weight

203.19700

PSA

56.49000

Applications of 1000932-81-9

2-Methyl-6H-pyrano[4,3-e]pyrazolo[1,5-a]pyrimidin-9(7H)-one has several potential applications:

  • Pharmaceutical Development: Its anticancer and antimicrobial properties make it a candidate for drug development targeting various diseases.
  • Biological Research: The compound can serve as a tool for studying cellular mechanisms due to its ability to interact with biological targets.
  • Material Science: The unique structural features may also find applications in developing novel materials with specific electronic or optical properties.

Interaction Studies of 1000932-81-9

Interaction studies involving 2-Methyl-6H-pyrano[4,3-e]pyrazolo[1,5-a]pyrimidin-9(7H)-one often focus on its binding affinity with biological macromolecules. Techniques such as molecular docking simulations have been employed to predict how this compound interacts with targets like enzymes involved in cancer progression (e.g., CDK2) . These studies help elucidate the mechanism of action and guide further modifications to enhance efficacy.

Biological Activity of 1000932-81-9

Research indicates that compounds within the pyrazolo-pyrimidine class exhibit significant biological activities, including:

  • Anticancer Properties: Studies have shown that derivatives of pyrazolo-pyrimidines can inhibit cancer cell proliferation by targeting specific pathways such as cyclin-dependent kinases (CDKs) .
  • Antimicrobial Activity: Some derivatives demonstrate effectiveness against various bacterial strains, suggesting potential applications in treating infections .
  • Anti-inflammatory Effects: Pyrazolo-pyrimidine compounds have been investigated for their anti-inflammatory properties, making them candidates for treating inflammatory diseases.