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Ethyl pyruvate-d3

CAT: 0804-HY-Y1362SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1362SSize:1 mg
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Description
Ethyl pyruvate-d3 is the deuterium labeled Ethyl pyruvate[1]. Ethyl pyruvate is a simple derivative of the endogenous metabolite, pyruvic acid. Ethyl pyruvate is an anti-inflammatory agent[2].
CAS Number
66966-38-9
UNSPSC
12352211
Hazard Statement
H302-H315-H319-H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
CCOC(C(C([2H])([2H])[2H])=O)=O
Molecular Formula
C5H5D3O3
Molecular Weight
119.13
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
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]Fink MP. Ethyl pyruvate: a novel anti-inflammatory agent. J Intern Med. 2007 Apr;261 (4) :349-62.|[3]Olcum M, Tufekci KU, Durur DY, et al. Ethyl Pyruvate Attenuates Microglial NLRP3 Inflammasome Activation via Inhibition of HMGB1/NF-κB/miR-223 Signaling. Antioxidants (Basel) . 202110 (5) :745.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ethyl Pyruvate-3,3,3-d3

See also: Ethyl pyruvate (annotation moved to).

CAS Number66966-38-9
PubChem CID12247697
IUPAC Nameethyl 3,3,3-trideuterio-2-oxopropanoate
Molecular FormulaC5H8O3
Molecular Weight119.13
XLogP0.4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity106
SMILES
[2H]C([2H])([2H])C(=O)C(=O)OCC
InChI
InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3/i2D3
InChIKey
XXRCUYVCPSWGCC-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Pyruvate-3,3,3-d3
CAS: 66966-38-9
CID: 12247697
Formula: C5H8O3
MW: 119.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight119.13
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass119.066174351
Monoisotopic Mass119.066174351
Topological Polar Surface Area43.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity106
Isotope Atom Count3
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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