sodium phenylbutyrate (CHEBI:75316)

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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

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.

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

Last Modified

22 September 2021