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Dimebutic acid (sodium)

CAT: 0804-HY-W015881ASize: 1 EachDry Ice: NoHazardous: No
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Description
Dimebutic acid sodium is an orally active short-chain fatty acid. Dimebutic acid sodium stimulates fetal globin production and alters the balance of Bcl family proteins. Dimebutic acid sodium prolongs red blood cell survival. Dimebutic acid sodium exhibits toxicity in rats. Dimebutic acid sodium can be used in the study of β-thalassemia and sickle cell disease[1][2].
CAS Number
3934-02-9
Product Name Alternative
NSC-16045 (sodium) ; NSC-741804 (sodium)
UNSPSC
12352211
Target
Bcl-2 Family
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/dimebutic-acid-sodium.html
Smiles
CCC(C)(C(O[Na])=O)C
Molecular Formula
C6H11NaO2
Molecular Weight
138.14
References & Citations
[1]Parise RA, et al. Liquid chromatography-mass spectrometric assay for quantitation of the short-chain fatty acid, 2,2-dimethylbutyrate (NSC 741804), in rat plasma. J Chromatogr B Analyt Technol Biomed Life Sci. 2008 Feb 1;862 (1-2) :168-74.|[2]Terse PS, et al. Short-term toxicity study of ST-20 (NSC-741804) by oral gavage in Sprague-Dawley rats. Toxicol Pathol. 2011 Jun;39 (4) :614-22.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Sodium 2,2-dimethylbutyrate
CAS Number3934-02-9
PubChem CID53247304
IUPAC Namesodium 2,2-dimethylbutanoate
Molecular FormulaC6H11NaO2
Molecular Weight138.14
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
CCC(C)(C)C(=O)[O-].[Na+]
InChI
InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1
InChIKey
OOPXYEYPPHJHSE-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium 2,2-dimethylbutyrate
CAS: 3934-02-9
CID: 53247304
Formula: C6H11NaO2
MW: 138.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.14
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass138.06567387
Monoisotopic Mass138.06567387
Topological Polar Surface Area40.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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