Chemical Component Summary

Name2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms2-FLUOROADENOSINE
Identifiers(2R,3R,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC10 H12 F N5 O4
Molecular Weight285.232
TypeNON-POLYMER
Isomeric SMILESc1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)F)N
InChIInChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1
InChIKeyHBUBKKRHXORPQB-UUOKFMHZSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count4
Bond Count34
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB04441 
Name2-Fluoroadenosine
Groups experimental
Synonyms
  • 6-amino-2-fluoro-9-β-D-ribofuranosylpurine
  • 2-(6-amino-2-fluoro-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
  • 2-Fluoroadenosine
Categories
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
  • Purine Nucleosides
  • Purines
CAS number146-78-1

Drug Targets

NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylase DeoD-typeMATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL290077
PubChem 8975
ChEMBL CHEMBL290077
ChEBI CHEBI:39740