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α-Hydroxyglutaric acid-d4 (disodium)

CAT: 0804-HY-113038AS1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113038AS1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
α-Hydroxyglutaric acid-d4 (disodium) is the deuterium labeled α-Hydroxyglutaric acid disodium[1]. α-Hydroxyglutaric acid (2-Hydroxyglutarate) disodium is an α-hydroxy acid form of glutaric acid. α-Hydroxyglutaric acid disodium is a competitive inhibitor of multiple α-ketoglutarate-dependent dioxygenases, including histone demethylases and the TET family of 5-methlycytosine (5mC) hydroxylases[2].
CAS Number
2483831-91-8
Product Name Alternative
2-Hydroxyglutarate-d4 (disodium) ; 2-Hydroxyglutaric acid-d4 (disodium) ; 2-Hydroxypentanedioic acid-d4 (disodium)
UNSPSC
12352211
Target
Endogenous Metabolite; Histone Demethylase
Type
Isotope-Labeled Compounds
Related Pathways
Epigenetics; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Solubility
H2O : 125 mg/mL (ultrasonic; warming)
Smiles
O=C(O[Na])CC([2H])([2H])C(O[2H])([2H])C(O[Na])=O
Molecular Formula
C5H2D4Na2O5
Molecular Weight
196.10
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Wei Xu, et al. Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of α-ketoglutarate-dependent dioxygenases. Cancer Cell. 2011 Jan 18;19 (1) :17-30.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

CID 171042863
CAS Number2483831-91-8
PubChem CID171042863
Molecular FormulaC5H8Na2O5
Molecular Weight198.12
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity141
SMILES
[2H]C([2H])(CC(=O)O)C([2H])(C(=O)O)O[2H].[Na].[Na]
InChI
InChI=1S/C5H8O5.2Na/c6-3(5(9)10)1-2-4(7)8;;/h3,6H,1-2H2,(H,7,8)(H,9,10);;/i1D2,3D,6D;;
InChIKey
UVBKSRZGVBRXSI-YHAFEQCOSA-N
Chemical Structure
2D Structure
2D structure of CID 171042863
CAS: 2483831-91-8
CID: 171042863
Formula: C5H8Na2O5
MW: 198.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.12
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass198.04181890
Monoisotopic Mass198.04181890
Topological Polar Surface Area94.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity141
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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