CAS 126118-55-6

8-Bromo-3,7-dihydro-3-methyl-7-(3-methylbutyl)-1H-purine-2,6-dione

Description:

8-Bromo-3,7-dihydro-3-methyl-7-(3-methylbutyl)-1H-purine-2,6-dione, with the CAS number 126118-55-6, is a purine derivative characterized by its complex structure, which includes a bromine atom and various alkyl substituents. This compound features a bicyclic purine core, which is essential for its biological activity, particularly in relation to nucleic acid interactions. The presence of the bromine atom can influence its reactivity and solubility, while the 3-methylbutyl group may enhance lipophilicity, potentially affecting its pharmacokinetic properties. Typically, purine derivatives are of interest in medicinal chemistry due to their roles in cellular processes and as potential therapeutic agents. The specific arrangement of substituents in this compound may also impart unique properties, such as altered binding affinity to biological targets or modified metabolic pathways. Overall, 8-Bromo-3,7-dihydro-3-methyl-7-(3-methylbutyl)-1H-purine-2,6-dione represents a significant compound for research in biochemistry and pharmacology.

Formula: C₁₁H₁₅BrN₄O₂

InChI: InChI=1S/C11H15BrN4O2/c1-6(2)4-5-16-7-8(13-10(16)12)15(3)11(18)14-9(7)17/h6H,4-5H2,1-3H3,(H,14,17,18)

InChI key: InChIKey=DBQYZQFOQFOBHU-UHFFFAOYSA-N

SMILES: C(CC(C)C)N1C2=C(N=C1Br)N(C)C(=O)NC2=O

Synonyms:

• 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(3-methylbutyl)-
• 8-Bromo-3,7-dihydro-3-methyl-7-(3-methylbutyl)-1H-purine-2,6-dione