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DL-Aspartic acid-d3

CAT: 0804-HY-N0666S2-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0666S2-01Size:5 mg
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Description
DL-Aspartic acid-d3 is the deuterium labeled L-Aspartic acid. L-Aspartic aicd is an amino acid that can penetrate the blood-brain barrier. L-Aspartic aicd is commonly used for preparing prodrugs to target colon and cecal tissues. L-Aspartic aicd commonly used in the study of inflammatory conditions[1][2][3].
CAS Number
14341-75-4
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology
Purity
99.56
Solubility
1 M NaOH : 100 mg/mL (ultrasonic; adjust pH to 11 with 1 M NaOH)
Smiles
NC(C([2H])([2H])C(O)=O)([2H])C(O)=O
Molecular Formula
C4H4D3NO4
Molecular Weight
136.12
Precautions
H302, H315, H319, H335
References & Citations
[1]Hosoya K, et al. Blood-brain barrier produces significant efflux of L-aspartic acid but not D-aspartic acid: in vivo evidence using the brain efflux index method. J Neurochem. 1999 Sep;73 (3) :1206-11.|[2]Leopold CS, et al. In vivo pharmacokinetic study for the assessment of poly (L-aspartic acid) as a drug carrier for colon-specific drug delivery. J Pharmacokinet Biopharm. 1995 Aug;23 (4) :397-406.|[3]Su G, et al. Enteric coronavirus PDCoV evokes a non-Warburg effect by hijacking pyruvic acid as a metabolic hub. Redox Biol. 2024 May;71:103112.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

DL-Aspartic-2,3,3-d3 Acid
CAS Number14341-75-4
PubChem CID46932124
IUPAC Name2-amino-2,3,3-trideuteriobutanedioic acid
Molecular FormulaC4H7NO4
Molecular Weight136.12
XLogP-2.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity133
SMILES
[2H]C([2H])(C(=O)O)C([2H])(C(=O)O)N
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1D2,2D
InChIKey
CKLJMWTZIZZHCS-FUDHJZNOSA-N
Chemical Structure
2D Structure
2D structure of DL-Aspartic-2,3,3-d3 Acid
CAS: 14341-75-4
CID: 46932124
Formula: C4H7NO4
MW: 136.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight136.12
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass136.05633794
Monoisotopic Mass136.05633794
Topological Polar Surface Area101 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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