structure of Ethyl 1,3-dimethyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-7-carboxylate

Ethyl 1,3-dimethyl-2,4-dioxo-1h,2h,3h,4h-pyrido[2,3-d]pyrimidine-7-carboxylate

CAS No.: 1000932-33-1
M. Wt: 263.25
M. Fa: C12H13N3O4
InChI Key: QAMKIINYQSIYCZ-UHFFFAOYSA-N

Names and Identifiers of 1000932-33-1

CAS Number

1000932-33-1

MDL Number

MFCD09863441

IUPAC Name

ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate

InChI

InChI=1S/C12H13N3O4/c1-4-19-11(17)8-6-5-7-9(13-8)14(2)12(18)15(3)10(7)16/h5-6H,4H2,1-3H3

InChIKey

QAMKIINYQSIYCZ-UHFFFAOYSA-N

Canonical SMILES

CCOC(=O)C1=CC=C2C(=O)N(C)C(=O)N(C)C2=N1

UNSPSC Code

12352100

Physical and chemical properties of 1000932-33-1

Acidity coefficient

-1.59±0.20(Predicted)

Boiling Point

447.9±55.0 °C(Predicted)

Density

1.322±0.06 g/cm3(Predicted)

H Bond Acceptors

4

H Bond Donors

0

LogP

0.757610059333333

Molecular Formula

C12H13N3O4

Molecular Weight

263.25

Safety Information of 1000932-33-1

Pictograms

Signal Word

 Warning

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

Applications of 1000932-33-1

Ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate has several applications:

  • Medicinal Chemistry: Its potential as a xanthine oxidase inhibitor positions it as a candidate for drug development aimed at treating gout and related disorders.
  • Research: The compound serves as a valuable reagent in biochemical research for studying enzyme inhibition and metabolic pathways.
  • Synthetic Intermediates: It can be used as an intermediate in synthesizing other biologically active compounds.

Interaction Studies of 1000932-33-1

Studies on the interactions of ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate with biological targets have focused on its mechanism of action as an enzyme inhibitor. The compound's efficacy in inhibiting xanthine oxidase has been demonstrated through various biochemical assays that measure uric acid levels and reactive oxygen species production in cellular models. These studies provide insights into its therapeutic potential and guide further research into optimizing its pharmacological properties.

Biological Activity of 1000932-33-1

The biological activity of ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate has garnered interest due to its potential as an enzyme inhibitor. Specifically, it has been shown to inhibit xanthine oxidase, an enzyme involved in purine metabolism. This inhibition leads to decreased production of uric acid, making it a candidate for treating conditions such as gout and hyperuricemia. Additionally, its structural features suggest potential antioxidant properties by reducing reactive oxygen species levels in cells.