CHEBI:72457 - 2-fluoroadenine

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ChEBI Name 2-fluoroadenine
ChEBI ID CHEBI:72457
Definition An organofluorine compound that is adenine in which the hydrogen at position 2 (the carbon between the two nitrogens of the pyrimidine ring) is replaced by a fluorine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H4FN5
Net Charge 0
Average Mass 153.11720
Monoisotopic Mass 153.04507
InChI InChI=1S/C5H4FN5/c6-5-10-3(7)2-4(11-5)9-1-8-2/h1H,(H3,7,8,9,10,11)
InChIKey WKMPTBDYDNUJLF-UHFFFAOYSA-N
SMILES Nc1nc(F)nc2nc[nH]c12
Roles Classification
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing 2-fluoroadenine (CHEBI:72457) has role antineoplastic agent (CHEBI:35610)
2-fluoroadenine (CHEBI:72457) is a organofluorine compound (CHEBI:37143)
2-fluoroadenine (CHEBI:72457) is a purines (CHEBI:26401)
Incoming fludarabine phosphate (CHEBI:63599) has functional parent 2-fluoroadenine (CHEBI:72457)
IUPAC Name
2-fluoro-7H-purin-6-amine
Synonyms Sources
2-Fad ChemIDplus
2-fluoro-1H-purin-6-amine ChemIDplus
2-fluoro-6-aminopurine ChemIDplus
2-fluoro-7(9)H-purin-6-ylamine ChEBI
BRN 0610958 ChemIDplus
F-Ade ChEBI
NSC 27364 ChemIDplus
SRI 774 ChemIDplus
Manual Xrefs Databases
A2F PDBeChem
EP2070931 Patent
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Registry Numbers Types Sources
11305663 Reaxys Registry Number Reaxys
700-49-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19388075 PubMed citation Europe PMC
3307790 PubMed citation Europe PMC
9634004 PubMed citation Europe PMC
Last Modified
14 February 2013