structure of tert-Butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

tert-Butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate

CAS No.: 1000386-01-5
M. Wt: 266.29600
M. Fa: C12H18N4O3
InChI Key: BNNJUQHXJUNHCU-UHFFFAOYSA-N
Appearance: White To Off-White Solid

Names and Identifiers of 1000386-01-5

CAS Number

1000386-01-5

MDL Number

MFCD09999172

IUPAC Name

tert-butyl 2-amino-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate

InChI

InChI=1S/C12H18N4O3/c1-12(2,3)19-11(18)16-5-4-8-7(6-16)9(17)15-10(13)14-8/h4-6H2,1-3H3,(H3,13,14,15,17)

InChIKey

BNNJUQHXJUNHCU-UHFFFAOYSA-N

Canonical SMILES

CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NC(=N2)N

UNSPSC Code

12352100

Physical and chemical properties of 1000386-01-5

Exact Mass

266.13800

H Bond Acceptors

4

H Bond Donors

2

LogP

0.92560

Molecular Formula

C12H18N4O3

Molecular Weight

266.29600

PSA

102.30000

Storage condition

2-8°C

Safety Information of 1000386-01-5

Pictograms

Signal Word

 Warning

Safety Data Sheet
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Applications of 1000386-01-5

tert-Butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate has potential applications in several fields:

  • Pharmaceutical Development: Due to its promising biological activities, it may serve as a lead compound for developing new drugs.
  • Chemical Probes: Its unique structure allows it to be used as a chemical probe in biological studies.
  • Research Tool: The compound can be utilized in research settings to explore enzyme interactions and metabolic pathways.

Interaction Studies of 1000386-01-5

Interaction studies involving tert-butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate focus on its binding affinity with various biological targets:

  • Protein Binding: Investigating how this compound interacts with specific proteins can reveal insights into its mechanism of action.
  • Receptor Interaction: Studies on receptor binding may provide information on its pharmacological profile and therapeutic potential.
  • Metabolic Pathway Analysis: Understanding how this compound is metabolized in biological systems can inform its safety and efficacy profiles.

Biological Activity of 1000386-01-5

The biological activity of tert-butyl 2-amino-4-oxo-3,4,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate has been explored in various studies. Its structural components suggest potential activities such as:

  • Antimicrobial Properties: Preliminary studies indicate that this compound may exhibit antimicrobial effects against certain bacterial strains.
  • Anticancer Activity: There is emerging evidence suggesting that compounds with similar structures can inhibit cancer cell proliferation, making this compound a candidate for further investigation in cancer research.
  • Enzyme Inhibition: The ability of the compound to interact with specific enzymes could lead to therapeutic applications in treating metabolic disorders.