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> Main
CHEBI:75316 - sodium phenylbutyrate
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ChEBI Ontology
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ChEBI Name
sodium phenylbutyrate
ChEBI ID
CHEBI:75316
Definition
The organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H11NaO2
Net Charge
0
Average Mass
186.18290
Monoisotopic Mass
186.06567
InChI
InChI=1S/C10H12O2.Na/c11-10(12)8-4-7-9-5-2-1-3-6-9;/h1-3,5-6H,4,7-8H2,(H,11,12);/q;+1/p-1
InChIKey
VPZRWNZGLKXFOE-UHFFFAOYSA-M
SMILES
[Na+].[O-]C(=O)CCCc1ccccc1
Roles Classification
Biological Role
(s):
EC 3.5.1.98 (histone deacetylase) inhibitor
An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Application
(s):
prodrug
A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
neuroprotective agent
Any compound that can be used for the treatment of neurodegenerative disorders.
orphan drug
Any drug that has been developed specifically for treatment of a rare medical condition, the condition itself being known as an orphan disease.
geroprotector
Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
sodium phenylbutyrate (
CHEBI:75316
)
has part
4-phenylbutyrate (
CHEBI:75317
)
sodium phenylbutyrate (
CHEBI:75316
)
has role
EC 3.5.1.98 (histone deacetylase) inhibitor (
CHEBI:61115
)
sodium phenylbutyrate (
CHEBI:75316
)
has role
geroprotector (
CHEBI:176497
)
sodium phenylbutyrate (
CHEBI:75316
)
has role
neuroprotective agent (
CHEBI:63726
)
sodium phenylbutyrate (
CHEBI:75316
)
has role
orphan drug (
CHEBI:71031
)
sodium phenylbutyrate (
CHEBI:75316
)
has role
prodrug (
CHEBI:50266
)
sodium phenylbutyrate (
CHEBI:75316
)
is a
organic sodium salt (
CHEBI:38700
)
IUPAC Name
sodium 4-phenylbutanoate
Synonyms
Sources
4PBA
ChEBI
Benzenebutanoic acid, sodium salt
ChemIDplus
Sodium 4-phenylbutyrate
ChemIDplus
Brand Names
Sources
Ammonaps
ChEBI
Buphenyl
KEGG DRUG
TriButyrate
ChemIDplus
Manual Xrefs
Databases
5068
ChemSpider
CN102757334
Patent
D05868
KEGG DRUG
DBSALT002404
DrugBank
FR2959129
Patent
MX2010009933
Patent
Sodium_phenylbutyrate
Wikipedia
US2009221714
Patent
View more database links
Registry Numbers
Types
Sources
1716-12-7
CAS Registry Number
ChemIDplus
4039802
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11792861
PubMed citation
Europe PMC
21767572
PubMed citation
Europe PMC
21902286
PubMed citation
Europe PMC
22069317
PubMed citation
Europe PMC
22328638
PubMed citation
Europe PMC
22723850
PubMed citation
Europe PMC
23448466
PubMed citation
Europe PMC
Last Modified
22 September 2021