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CAS 126565-13-7

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N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine

Description:
N1,N3-bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine, with CAS number 126565-13-7, is a synthetic compound belonging to the xanthine class of molecules, which are known for their roles in various biological processes, particularly as purine derivatives. This compound features multiple pentafluorobenzyl groups, which contribute to its unique chemical properties, including increased lipophilicity and potential for enhanced biological activity. The presence of fluorine atoms in the structure often leads to increased metabolic stability and altered pharmacokinetics. The xanthine core is typically associated with activities such as inhibition of phosphodiesterases and modulation of adenosine receptors, making this compound of interest in medicinal chemistry and drug development. Its complex structure suggests potential applications in research, particularly in studies related to cellular signaling and therapeutic interventions. However, specific biological activities and safety profiles would require further investigation through experimental studies.
Formula:C28H11F15N4O3
InChI:InChI=1/C28H11F15N4O3/c29-13-4-1-10(16(32)19(13)35)26(38,39)46-23-22(24(48)47(25(46)49)27(40,41)11-2-5-14(30)20(36)17(11)33)45(9-44-23)7-8-50-28(42,43)12-3-6-15(31)21(37)18(12)34/h1-6,9H,7-8H2
SMILES:c1cc(c(c(c1C(F)(F)n1c2c(c(=O)n(c1=O)C(c1ccc(c(c1F)F)F)(F)F)n(CCOC(c1ccc(c(c1F)F)F)(F)F)cn2)F)F)F
Synonyms:
  • (Pfbz)3-N7-hex
  • 3,7-Dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-1H-purine-2,6-dione
  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-((pentafluorophenyl)methoxy)ethyl-1,3-bis(pentafluorophenyl)methyl)-
  • 7-{2-[difluoro(2,3,4-trifluorophenyl)methoxy]ethyl}-1,3-bis[difluoro(2,3,4-trifluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
  • N1,N3-Bis(pentafluorobenzyl)-N7-(2-(pentafluorobenzyloxy)ethyl)xanthine
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