structure of 3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid

CAS No.: 1000932-99-9
M. Wt: 336.39
M. Fa: C16H24N4O4
InChI Key: NGYGSIFVWFYKAC-UHFFFAOYSA-N

Names and Identifiers of 1000932-99-9

CAS Number

1000932-99-9

IUPAC Name

3-(3,7-dibutyl-2,6-dioxopurin-8-yl)propanoic acid

InChI

InChI=1S/C16H24N4O4/c1-3-5-9-19-11(7-8-12(21)22)17-14-13(19)15(23)18-16(24)20(14)10-6-4-2/h3-10H2,1-2H3,(H,21,22)(H,18,23,24)

InChIKey

NGYGSIFVWFYKAC-UHFFFAOYSA-N

Canonical SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)O

Physical and chemical properties of 1000932-99-9

Molecular Formula

C16H24N4O4

Molecular Weight

336.39

Safety Information of 1000932-99-9

Pictograms

Signal Word

Warning

Safety Data Sheet

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Applications of 1000932-99-9

This compound serves several important roles in scientific research:

  • Chemistry: It acts as a building block for synthesizing more complex molecules.
  • Biology: It is utilized as a model compound for studying purine metabolism and its derivatives.
  • Industry: It finds applications in producing specialty chemicals and materials.

Interaction Studies of 1000932-99-9

Research on the interactions of 3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid with biological targets has revealed its potential to influence enzymatic activities related to purine metabolism. This makes it a valuable compound for understanding metabolic pathways and developing therapeutic agents targeting these pathways.

Biological Activity of 1000932-99-9

3-(3,7-dibutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanoic acid has been studied for its potential biological activities. It is known to interact with enzymes involved in purine metabolism, potentially inhibiting or modulating their activity. This interaction can affect various biochemical pathways, making it a subject of interest in pharmacological research.