Sodium phenylbutyrate

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MedKoo CAT#: 319606

CAS#: 1716-12-7 (sodium)

Description: Phenylbutyrate is a prodrug used to treat urea cycle disorders, because its metabolites offer an alternative pathway to the urea cycle to allow excretion of excess nitrogen. Phenylbutyrate is also a histone deacetylase inhibitor and chemical chaperone, leading respectively to research into its use as an anti-cancer agent and in protein misfolding diseases such as cystic fibrosis..

Chemical Structure

Sodium phenylbutyrate
CAS# 1716-12-7 (sodium)

Theoretical Analysis

MedKoo Cat#: 319606
Name: Sodium phenylbutyrate
CAS#: 1716-12-7 (sodium)
Chemical Formula: C10H11NaO2
Exact Mass: 186.07
Molecular Weight: 186.186
Elemental Analysis: C, 64.51; H, 5.96; Na, 12.35; O, 17.19

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Related CAS #: 1821-12-1 (free acid)   1716-12-7 (sodium)    

Synonym: Sodium phenylbutyrate; 4-phenylbutyrate (4-PBA); 4-phenylbutyric acid; Buphenyl;

IUPAC/Chemical Name: sodium 4-phenylbutanoate


InChi Code: 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

SMILES Code: O=C([O-])CCCC1=CC=CC=C1.[Na+]

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO, not in water

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: Phenylbutyrate is a prodrug. In the human body it is first converted to phenylbutyryl-CoA and then metabolized by mitochondrial beta-oxidation, mainly in the liver and kidneys, to the active form, phenylacetate. Phenylacetate conjugates with glutamine to phenylacetylglutamine, which is eliminated with the urine. It contains the same amount of nitrogen as urea, which makes it an alternative to urea for excreting nitrogen.

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 186.19 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Glycerol phenylbutyrate (Ravicti) for urea cycle disorders. Med Lett Drugs Ther. 2014 Aug 18;56(1449):77-8. Review. PubMed PMID: 25118801.

2: Cuadrado-Tejedor M, García-Osta A, Ricobaraza A, Oyarzabal J, Franco R. Defining the mechanism of action of 4-phenylbutyrate to develop a small-molecule-based therapy for Alzheimer's disease. Curr Med Chem. 2011;18(36):5545-53. Review. PubMed PMID: 22172064.

3: Iannitti T, Palmieri B. Clinical and experimental applications of sodium phenylbutyrate. Drugs R D. 2011 Sep 1;11(3):227-49. doi: 10.2165/11591280-000000000-00000. Review. PubMed PMID: 21902286; PubMed Central PMCID: PMC3586072.

4: Bugaut M, Fourcade S, Gondcaille C, Gueugnon F, Depreter M, Roels F, Netik A, Berger J, Martin P, Pineau T, Cadepond F, El Etr M, Savary S. Pharmacological induction of redundant genes for a therapy of X-ALD: phenylbutyrate and other compounds. Adv Exp Med Biol. 2003;544:281-91. Review. PubMed PMID: 14713242.

5: Gore SD, Carducci MA. Modifying histones to tame cancer: clinical development of sodium phenylbutyrate and other histone deacetylase inhibitors. Expert Opin Investig Drugs. 2000 Dec;9(12):2923-34. Review. PubMed PMID: 11093362.

6: Bradbury NA. Focus on "Sodium 4-phenylbutyrate downregulates Hsc70: implications for intracellular trafficking of DeltaF508-CFTR". Am J Physiol Cell Physiol. 2000 Feb;278(2):C257-8. Review. PubMed PMID: 10666019.

7: List AF. Hematopoietic stimulation by amifostine and sodium phenylbutyrate: what is the potential in MDS? Leuk Res. 1998 May;22 Suppl 1:S7-11. Review. PubMed PMID: 9734693.

8: Dover GJ. Hemoglobin switching protocols in thalassemia. Experience with sodium phenylbutyrate and hydroxyurea. Ann N Y Acad Sci. 1998 Jun 30;850:80-6. Review. PubMed PMID: 9668530.

9: Samid D, Hudgins WR, Shack S, Liu L, Prasanna P, Myers CE. Phenylacetate and phenylbutyrate as novel, nontoxic differentiation inducers. Adv Exp Med Biol. 1997;400A:501-5. Review. PubMed PMID: 9547596.