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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:72583 - WR-1065
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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
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Formula
C5H14N2S
Net Charge
0
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
Manual Xrefs
Databases
C07651
KEGG COMPOUND
WO2007123868
Patent
View more database links
Registry Numbers
Types
Sources
2069586
Reaxys Registry Number
Reaxys
31098-42-7
CAS Registry Number
KEGG COMPOUND
31098-42-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10190490
PubMed citation
Europe PMC
10755379
PubMed citation
Europe PMC
10825757
PubMed citation
Europe PMC
1311732
PubMed citation
Europe PMC
14716750
PubMed citation
Europe PMC
15557777
PubMed citation
Europe PMC
18206143
PubMed citation
Europe PMC
19016138
PubMed citation
Europe PMC
1908337
PubMed citation
Europe PMC
1968940
PubMed citation
Europe PMC
20095849
PubMed citation
Europe PMC
2982751
PubMed citation
Europe PMC
2988568
PubMed citation
Europe PMC
3340731
PubMed citation
Europe PMC
6480445
PubMed citation
Europe PMC
7513807
PubMed citation
Europe PMC
8012934
PubMed citation
Europe PMC
8434118
PubMed citation
Europe PMC
Last Modified
22 February 2013