WR-1065 (CHEBI:72583)

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ChEBI Name	WR-1065

ChEBI ID	CHEBI:72583

Definition	An alkanethiol that is the N-3-aminopropyl derivative of cysteamine. Used as the S-phosphorylated prodrug, amifostine, for cytoprotection in cancer chemotherapy and radiotherapy.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:10031

Supplier Information	ChemicalBook:CB32502994, eMolecules:31228765, ZINC000004097420

Download	Molfile XML SDF

Formula

C5H14N2S

Net Charge

Average Mass

134.24300

Monoisotopic Mass

134.08777

InChI

InChI=1S/C5H14N2S/c6-2-1-3-7-4-5-8/h7-8H,1-6H2

InChIKey

YHPLKWQJMAYFCN-UHFFFAOYSA-N

SMILES

NCCCNCCS

Roles Classification
Chemical Role(s):	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 (Bronsted acid). (via organic amino compound )

Biological Role(s):	drug metabolite

Application(s):	radiation protective agent Any compound that is able to protect normal cells from the damage caused by radiation therapy.

ChEBI Ontology
Outgoing	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 1065	KEGG COMPOUND

Last Modified

22 February 2013