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CHEBI:75316 - sodium phenylbutyrate

Default Structure
ChEBI IDCHEBI:75316
ChEBI Namesodium phenylbutyrate
Stars
DefinitionThe organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders.
Last Modified22 September 2021
Submitternamrata
DownloadsMolfile
FormulaC10H11O2.Na
Net Charge0
Average Mass186.186
Monoisotopic Mass186.06567
SMILESO=C([O-])CCCc1ccccc1.[Na+]
InChIInChI=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
InChIKeyVPZRWNZGLKXFOE-UHFFFAOYSA-M
Wikipedia
Roles Classification
Biological Role:
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).
Applications:
geroprotector  Any compound that supports healthy aging, slows the biological aging process, or extends lifespan.
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.
ChEBI Ontology
Outgoing Relation(s)
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  Source
4PBAChEBI
Benzenebutanoic acid, sodium saltChemIDplus
Sodium 4-phenylbutyrateChemIDplus
Brand Names  Source
AmmonapsChEBI
BuphenylKEGG DRUG
TriButyrateChemIDplus
Manual XrefsDatabases
5068ChemSpider
CN102757334Patent
D05868KEGG DRUG
DBSALT002404DrugBank
FR2959129Patent
MX2010009933Patent
Sodium_phenylbutyrateWikipedia
US2009221714Patent
Registry NumbersSources
Reaxys:4039802Reaxys
CAS:1716-12-7ChemIDplus
Citations