CAS 743442-01-5

3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-pentyl-1H-purine-8-propanoic acid

Description:

3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-pentyl-1H-purine-8-propanoic acid, with the CAS number 743442-01-5, is a purine derivative characterized by its complex structure, which includes a purine ring system and multiple functional groups. This compound features a tetrahydro configuration, indicating the presence of saturated carbon atoms within the ring structure, contributing to its stability and reactivity. The presence of dioxo groups suggests that it may exhibit significant acidity and potential for hydrogen bonding, which can influence its solubility and interaction with biological systems. The butyl and pentyl substituents enhance its hydrophobic characteristics, potentially affecting its bioavailability and interaction with lipid membranes. As a purine analog, it may play a role in biochemical processes, possibly acting as a modulator or inhibitor in enzymatic pathways. Overall, the unique combination of functional groups and structural features makes this compound of interest in medicinal chemistry and pharmacology, although specific biological activities would require further investigation.

Formula: C₁₇H₂₆N₄O₄

InChI: InChI=1S/C17H26N4O4/c1-3-5-7-11-20-12(8-9-13(22)23)18-15-14(20)16(24)19-17(25)21(15)10-6-4-2/h3-11H2,1-2H3,(H,22,23)(H,19,24,25)

InChI key: InChIKey=PTQBZCHWXIGRJD-UHFFFAOYSA-N

SMILES: C(CCCC)N1C2=C(N(CCCC)C(=O)NC2=O)N=C1CCC(O)=O

Synonyms:

• 1H-Purine-8-propanoic acid, 3-butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-pentyl-
• 3-Butyl-2,3,6,7-tetrahydro-2,6-dioxo-7-pentyl-1H-purine-8-propanoic acid