CHEBI:75316 - sodium phenylbutyrate

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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.
Stars 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 186.066
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.
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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 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
CN102757334 Patent
D05868 KEGG DRUG
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 Waiting for Citations Types Sources
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
08 September 2013