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Valproic Acid-d4

CAT: 0931-TMIJ-0163-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0163-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
87745-17-3
Target
Mitophagy, Autophagy, Gamma-secretase, HIV Protease, Endogenous Metabolite, HDAC
Related Pathways
DNA Damage/DNA Repair, Neuroscience, Proteases/Proteasome, Metabolism, Microbiology/Virology, Autophagy, Chromatin/Epigenetic, Stem Cells
Bioactivity
Valproic Acid-d4 is a deuterated compound of Valproic Acid. Valproic Acid has a CAS number of 99-66-1. Valproic Acid is a branched chain fatty acid which potentially enhances central GABAergic neurotransmission and inhibits Na+ channels. Currently, the various molecular mechanisms of action of Valproic Acid have not been completely elucidated. Valproic Acid has been reported to be a potent inhibitor of histone deacetylases (HDACs) in vitro. Valproic Acid is also noted to relieve HDAC-dependent transcriptional repression and causes the hyperacetylation of histones in cultured cells. Additionally, Valproic Acid is reported to activate Wnt-dependent gene expression and to mimic trichostatin A (sc-3511) in the inhibition of histone deacetylase.
Smiles
C(O)(=O)C(C([2H])([2H])CC)C([2H])([2H])CC
Molecular Formula
C8H12D4O2
Molecular Weight
148.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Valproic acid-D4
CAS Number87745-17-3
PubChem CID76973098
IUPAC Name3,3-dideuterio-2-(1,1-dideuteriopropyl)pentanoic acid
Molecular FormulaC8H16O2
Molecular Weight148.24
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
[2H]C([2H])(CC)C(C(=O)O)C([2H])([2H])CC
InChI
InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)/i5D2,6D2
InChIKey
NIJJYAXOARWZEE-NZLXMSDQSA-N
Chemical Structure
2D Structure
2D structure of Valproic acid-D4
CAS: 87745-17-3
CID: 76973098
Formula: C8H16O2
MW: 148.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight148.24
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass148.140136733
Monoisotopic Mass148.140136733
Topological Polar Surface Area37.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.4
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes