CAS 873436-88-5

8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine

Description:

8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine, with the CAS number 873436-88-5, is a chemical compound that belongs to the purine class of molecules. This substance features a purine core, which is a bicyclic structure composed of fused imidazole and pyrimidine rings, and is substituted at the 8-position with a benzodioxole-thio group. The presence of the benzodioxole moiety contributes to its potential biological activity, as this functional group is often associated with various pharmacological properties. The thioether linkage enhances the compound's stability and may influence its interaction with biological targets. This compound is of interest in medicinal chemistry and drug development, particularly in the context of targeting specific enzymes or receptors in cellular pathways. Its unique structure may also provide insights into the design of novel therapeutics, especially in areas related to cancer or other diseases where purine metabolism plays a critical role. Further studies would be necessary to elucidate its specific biological activities and potential applications.

Formula: C₁₂H₉N₅O₂S

InChI: InChI=1S/C12H9N5O2S/c13-10-9-11(15-4-14-10)17-12(16-9)20-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H3,13,14,15,16,17)

InChI key: InChIKey=LGBDNSGYOVMKIT-UHFFFAOYSA-N

SMILES: NC1=C2C(N=C(SC=3C=C4C(=CC3)OCO4)N2)=NC=N1

Synonyms:

• 8-(1,3-Benzodioxol-5-ylthio)-9H-purin-6-amine
• 9H-Purin-6-amine, 8-(1,3-benzodioxol-5-ylthio)-
• 1H-Purin-6-amine, 8-(1,3-benzodioxol-5-ylthio)-
• 8-[(Benzo[d][1,3]dioxol-5-yl)thio]-9H-purin-6-amine