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CAS 10381-82-5

:

8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

Description:
8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, commonly known as brominated caffeine, is a derivative of caffeine with a bromine atom substituted at the 8-position of the purine ring. This compound exhibits characteristics typical of purine derivatives, including a bicyclic structure that contributes to its biological activity. It is a white to off-white crystalline solid, soluble in polar solvents such as water and ethanol, and has a relatively low melting point. The presence of the bromine atom can influence its pharmacological properties, potentially enhancing its stimulant effects compared to caffeine. As a purine analog, it may interact with adenosine receptors, which play a crucial role in various physiological processes, including sleep regulation and neurotransmission. Its unique structure also makes it of interest in medicinal chemistry for the development of new therapeutic agents. Safety and handling precautions should be observed, as with many brominated compounds, due to potential toxicity and environmental concerns.
Formula:C8H9BrN4O2
InChI:InChI=1S/C8H9BrN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChI key:InChIKey=YRLRORFORQUTKS-UHFFFAOYSA-N
SMILES:CN1C2=C(C(=O)N(C)C1=O)N(C)C(Br)=N2
Synonyms:
  • 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3,7-trimethyl-
  • 7-Methyl-8-bromotheophylline
  • 8-Bromo-1,3,7-trimethylxanthine
  • 8-Bromo-3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
  • 8-Bromocaffeine
  • 8-bromo-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
  • Caffeine, 8-bromo-
  • NSC 11255
  • Xanthobin
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