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CHEBI:75316 - sodium phenylbutyrate
| Formula | C10H11O2.Na |
| Net Charge | 0 |
| Average Mass | 186.186 |
| Monoisotopic Mass | 186.06567 |
| SMILES | O=C([O-])CCCc1ccccc1.[Na+] |
| 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 |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | anti-HIV agent An antiviral agent that destroys or inhibits the replication of the human immunodeficiency virus. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. 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: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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. antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. 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 anti-HIV agent (CHEBI:64946) |
| sodium phenylbutyrate (CHEBI:75316) has role antineoplastic agent (CHEBI:35610) |
| sodium phenylbutyrate (CHEBI:75316) has role antitubercular agent (CHEBI:33231) |
| 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 |
|---|---|
| 4PBA | ChEBI |
| 4-phenylbutyric acid, sodium salt | ChEMBL |
| ACER-001 | ChEMBL |
| Benzenebutanoic acid, sodium salt | ChemIDplus |
| NSC-657802 | ChEMBL |
| Olpruva | ChEMBL |
| Brand Names | Source |
|---|---|
| Ambutyrate | ChEMBL |
| Ammonaps | ChEBI |
| Buphenyl | KEGG DRUG |
| Sodium phenylbutyrate component of albrioza | ChEMBL |
| Sodium phenylbutyrate component of relyvrio | ChEMBL |
| TriButyrate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 5068 | ChemSpider |
| CN102757334 | Patent |
| D05868 | KEGG DRUG |
| DBSALT002404 | DrugBank |
| FR2959129 | Patent |
| MX2010009933 | Patent |
| Sodium_phenylbutyrate | Wikipedia |
| US2009221714 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4039802 | Reaxys |
| CAS:1716-12-7 | ChemIDplus |
| Citations |
|---|