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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:
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.
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
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.
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