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CAS 101072-02-0

:

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

Description:
8-Bromo-3,7-dihydro-3-methyl-7-(2-oxobutyl)-1H-purine-2,6-dione, with the CAS number 101072-02-0, is a purine derivative characterized by its complex structure, which includes a bromine atom and a ketone functional group. 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 substituent can influence its reactivity and biological properties, potentially enhancing its role as a pharmacophore. The 2-oxobutyl side chain contributes to its lipophilicity, which may affect its solubility and permeability in biological systems. This compound is of interest in medicinal chemistry, particularly for its potential applications in drug development, where modifications to the purine structure can lead to varied pharmacological effects. Its synthesis and characterization are crucial for understanding its mechanism of action and potential therapeutic uses. As with many purine derivatives, it may exhibit properties such as anti-inflammatory or antiviral activities, warranting further investigation in biochemical studies.
Formula:C10H11BrN4O3
InChI:InChI=1S/C10H11BrN4O3/c1-3-5(16)4-15-6-7(12-9(15)11)14(2)10(18)13-8(6)17/h3-4H2,1-2H3,(H,13,17,18)
InChI key:InChIKey=XSDVPKLXNVLWKU-UHFFFAOYSA-N
SMILES:C(C(CC)=O)N1C2=C(N=C1Br)N(C)C(=O)NC2=O
Synonyms:
  • 8-Bromo-3,7-dihydro-3-methyl-7-(2-oxobutyl)-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-(2-oxobutyl)-
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