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Sodium Phenylbutyrate

CAT: 1410-M12616-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M12616-01Size:50 mg
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Description
Sodium Phenylbutyrate is a transcriptional regulators that act by altering chromatin structure via the modulation of HDAC activity.
CAS Number
1716-12-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
186.18
Molecular Formula
C10H11NaO2
Notes
Research use only, not for human use.
Receptor
HDAC

Chemical Information

Sodium Phenylbutyrate

Sodium phenylbutyrate is the organic sodium salt of 4-phenylbutyric acid. A prodrug for phenylacetate, it is used to treat urea cycle disorders. It has a role as a geroprotector, a prodrug, an EC 3.5.1.98 (histone deacetylase) inhibitor, a neuroprotective agent and an orphan drug. It contains a 4-phenylbutyrate.

CAS Number1716-12-7
PubChem CID5258
IUPAC Namesodium 4-phenylbutanoate
Molecular FormulaC10H11NaO2
Molecular Weight186.18
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity142
SMILES
C1=CC=C(C=C1)CCCC(=O)[O-].[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
Chemical Structure
2D Structure
2D structure of Sodium Phenylbutyrate
CAS: 1716-12-7
CID: 5258
Formula: C10H11NaO2
MW: 186.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.18
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass186.06567387
Monoisotopic Mass186.06567387
Topological Polar Surface Area40.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity142
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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Alternative Products

CatalogName
A4107-5.1Sodium Phenylbutyrate
BML-EI320-0001Phenylbutyrate sodium
S4660-01Sodium 4-phenylbutyrate
A16714-200Sodium phenylbutyrate 200mg
A16714-50Sodium phenylbutyrate 50mg
HY-15654S-01Phenylbutyrate-d11 (sodium)

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