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CHEBI:72583 - WR-1065

ChEBI IDCHEBI:72583
ChEBI NameWR-1065
Stars
DefinitionAn alkanethiol that is the N-3-aminopropyl derivative of cysteamine. Used as the S-phosphorylated prodrug, amifostine, for cytoprotection in cancer chemotherapy and radiotherapy.
Secondary ChEBI IDCHEBI:10031
Last Modified22 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC5H14N2S
Net Charge0
Average Mass134.248
Monoisotopic Mass134.08777
SMILESNCCCNCCS
InChIInChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2
InChIKeyYHPLKWQJMAYFCN-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
Application:
radiation protective agent  Any compound that is able to protect normal cells from the damage caused by radiation therapy.
ChEBI Ontology
Outgoing Relation(s)
WR-1065 (CHEBI:72583) has functional parent cysteamine (CHEBI:17141)
WR-1065 (CHEBI:72583) has role antioxidant (CHEBI:22586)
WR-1065 (CHEBI:72583) has role drug metabolite (CHEBI:49103)
WR-1065 (CHEBI:72583) has role radiation protective agent (CHEBI:66987)
WR-1065 (CHEBI:72583) is a alkanethiol (CHEBI:47908)
WR-1065 (CHEBI:72583) is a diamine (CHEBI:23666)
IUPAC Name 
2-[(3-aminopropyl)amino]ethanethiol
Synonym  Source
WR 1065KEGG COMPOUND
Manual XrefsDatabases
C07651KEGG COMPOUND
WO2007123868Patent
Registry NumbersSources
Reaxys:2069586Reaxys
CAS:31098-42-7KEGG COMPOUND
CAS:31098-42-7ChemIDplus
Citations