FComEx: 4-Phenylbutanoic acid (PC000312)

Record Information

Version

1.0

Creation date

2015-10-09 22:29:50 UTC

Update date

2017-01-19 02:36:19 UTC

FoodComEx ID

PC000312

FoodDB Record

FDB022106

Chemical Information

Name

4-Phenylbutanoic acid

Description

4-phenylbutyrate (4-PBA) is known to be a transcriptional regulator, and sodium-4-PBA has been shown to induce fetal hemoglobin, and it has been used in clinical trials for sickle cell anemia and β-thalassemia Because gene expression profiles became more differentiated, it is in phase I trials in several different malignant disorders. The potential for therapeutic benefit in cystic fibrosis (CF) resides in an additional mechanism, involving protein folding and the ER environment. 4-PBA is a drug that was developed to treat elevated blood ammonia in urea cycle disorders, a histone deacetylase inhibitor that promotes mutation ΔF508 cystic fibrosis transmembrane conductance regulator (CFTR) trafficking. (PMID 12458151) [HMDB]

CAS Number

1821-12-1

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
4-PHENYL-butanoate	Generator
4-PHENYL-butanoIC ACID	ChEBI
4-Phenyl-butyrate	hmdb
4-Phenyl-butyric acid	hmdb
4-Phenyl-n-butyrate	hmdb
4-Phenyl-n-butyric acid	hmdb
4-Phenylbutanoate	hmdb
4-Phenylbutanoic acid	hmdb
4-Phenylbutyrate	hmdb
4-Phenylbutyric acid	hmdb
Benzenebutanoate	hmdb
Benzenebutanoic acid	hmdb
Benzenebutyrate	hmdb
Benzenebutyric acid	hmdb
g-Phenyl-butyrate	hmdb
g-Phenyl-butyric acid	hmdb
g-Phenyl-N-butyrate	Generator
g-Phenyl-N-butyric acid	Generator
g-Phenylbutanoate	hmdb
g-Phenylbutanoic acid	hmdb
g-Phenylbutyrate	hmdb
g-Phenylbutyric acid	hmdb
gamma-Phenyl-butyrate	hmdb
gamma-Phenyl-butyric acid	hmdb
gamma-Phenyl-N-butyrate	Generator
gamma-Phenyl-N-butyric acid	ChEBI
gamma-Phenylbutanoate	hmdb
gamma-Phenylbutanoic acid	hmdb
gamma-Phenylbutyrate	hmdb
gamma-Phenylbutyric acid	hmdb
omega-Phenylbutanoate	hmdb
omega-Phenylbutanoic acid	hmdb
Omega-phenylbutyrate	Generator
Omega-phenylbutyric acid	ChEBI
PBA	ChEBI
w-Phenylbutanoate	hmdb
w-Phenylbutanoic acid	hmdb
γ-phenyl-N-butyrate	Generator
γ-phenyl-N-butyric acid	Generator
γ-phenylbutyrate	Generator
γ-phenylbutyric acid	Generator

Chemical Formula

C10H12O2

IUPAC name

4-phenylbutanoic acid

InChI Identifier

InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)

InChI Key

OBKXEAXTFZPCHS-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)CCCC1=CC=CC=C1

Average Molecular Weight

164.2011

Monoisotopic Molecular Weight

164.083729628

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Not Available

Direct Parent

Benzene and substituted derivatives

Alternative Parents

Substituents