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Xanthurenic acid-d4

CAT: 0804-HY-W014666S-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W014666S-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Xanthurenic acid-d4 is the deuterium labeled Xanthurenic acid[1]. Xanthurenic acid is a putative endogenous Group II metabotropic glutamate receptor agonist, on sensory transmission in the thalamus[2].
CAS Number
1329611-28-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Apoptosis; Endogenous Metabolite; mGluR
Type
Isotope-Labeled Compounds
Related Pathways
Apoptosis; GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Purity
99.09
Solubility
10 mM in DMSO|DMSO : 8.93mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC1=C([2H])C([2H])=C([2H])C2=C1N=C(C(O)=O)C([2H])=C2O
Molecular Formula
C10H3D4NO4
Molecular Weight
209.19
Precautions
H302, H315, H319, H335
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]Copeland CS, et al. Actions of Xanthurenic acid, a putative endogenous Group II metabotropic glutamate receptor agonist, on sensory transmission in the thalamus. Neuropharmacology. 2013 Mar;66:133-42.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Xanthurenic Acid-d4
CAS Number1329611-28-0
PubChem CID136234088
IUPAC Name3,5,6,7-tetradeuterio-4,8-dihydroxyquinoline-2-carboxylic acid
Molecular FormulaC10H7NO4
Molecular Weight209.19
XLogP1.3
Topological Polar Surface Area90.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity258
SMILES
[2H]C1=C(C2=C(C(=C1[2H])O)N=C(C(=C2O)[2H])C(=O)O)[2H]
InChI
InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)/i1D,2D,3D,4D
InChIKey
FBZONXHGGPHHIY-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of Xanthurenic Acid-d4
CAS: 1329611-28-0
CID: 136234088
Formula: C10H7NO4
MW: 209.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight209.19
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass209.06261469
Monoisotopic Mass209.06261469
Topological Polar Surface Area90.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity258
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

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