CAS 83277-80-9

6-(Heptylthio)-9H-purine

Description:

6-(Heptylthio)-9H-purine, with the CAS number 83277-80-9, is a purine derivative characterized by the presence of a heptylthio group at the 6-position of the purine ring. This compound features a bicyclic structure typical of purines, which includes a fused imidazole and pyrimidine ring. The heptylthio substituent introduces hydrophobic characteristics, influencing its solubility and interaction with biological membranes. As a purine analog, it may exhibit biological activity, potentially acting as a modulator of nucleic acid metabolism or influencing signaling pathways. The presence of the heptylthio group can also affect the compound's pharmacokinetics, including absorption, distribution, metabolism, and excretion. Additionally, the compound's structural features may allow it to participate in various chemical reactions, making it of interest in medicinal chemistry and biochemistry. Overall, 6-(Heptylthio)-9H-purine represents a unique structure within the purine family, with potential applications in research and therapeutic contexts.

Formula: C₁₂H₁₈N₄S

InChI: InChI=1S/C12H18N4S/c1-2-3-4-5-6-7-17-12-10-11(14-8-13-10)15-9-16-12/h8-9H,2-7H2,1H3,(H,13,14,15,16)

InChI key: InChIKey=AJMDBPAFRPBUDE-UHFFFAOYSA-N

SMILES: S(CCCCCCC)C1=C2C(N=CN2)=NC=N1

Synonyms:

• 1H-Purine, 6-(heptylthio)-
• 6-(Heptylthio)-1H-purine
• 6-(Heptylthio)-9H-purine
• 6-(heptylsulfanyl)-5H-purine
• 6-(heptylsulfanyl)-7H-purine
• 9H-Purine, 6-(heptylthio)-
• NSC 22778
• Purine, 6-(heptylthio)-
• 6-n-Heptylmercaptopurine

6-n-Heptylmercaptopurine

CAS: 83277-80-9

Formula: C₁₂H₁₈N₄S

Molecular weight: 250.36

Ref: 7W-GL3988