sodium butanoate

• ChemBase ID: 72833
• Molecular Formular: C4H7NaO2
• Molecular Mass: 110.08695
• Monoisotopic Mass: 110.03437375
• SMILES: CCCC(=O)O[Na]
• Canonical SMILES: CCCC(=O)O[Na]
• InChI: InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
• InChIKey: MFBOGIVSZKQAPD-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium butanoate
• IUPAC Traditional name: butanoic acid, sodium salt
• Synonyms: Butyric acid sodium salt; Sodium butyrate

Database IDs

• CAS Number: 156-54-7
• PubChem SID: 162037754
• PubChem CID: 5222465

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1678
• LogD (pH = 7.4): 1.1678
• Log P: 1.1678
• Molar Refractivity: 20.944 cm^3
• Polarizability: 10.551695 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO

Safety Information

• Storage Condition: -20°C

Product Information

• Salt Data: Butyrate

DETAILS

Selleck Chemicals - S1999

Research Area: Cancer
Biological Activity:
Sodium butyrate is a compound with formula Na(C3H7COO). It is the sodium salt of butyric acid. It has various effects on cultured mammalian cells including inhibition of proliferation, induction of differentiation and induction or repression of gene expression. As such, it can be used in lab to bring about any of these effects. Specifically, butyrate treatment of cells results in histone hyperacetylation, and butyrate itself inhibits HDAC activity. Butyrate has been an essential vehicle for determining the role of histone acetylation in chromatin structure and function. Inhibition of HDAC activity affects the expression of only 2% of mammalian genes. [1]

REFERENCES

• http://en.wikipedia.org/wiki/Sodium_butyrate