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L-Aspartic acid-13C-2

CAT: 0804-HY-W015824S6Size: 1 EachDry Ice: NoHazardous: No
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Description
L-Aspartic acid-13C-2 is the 13C-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
81201-98-1
UNSPSC
12352211
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Smiles
O[13C](C[C@H](N)C(O)=O)=O
Molecular Formula
C3 13CH7NO4
Molecular Weight
134.10
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 Aug23 (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
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

L-(4-~13~C)Aspartic acid
CAS Number81201-98-1
PubChem CID16213452
IUPAC Name(2S)-2-amino(413C)butanedioic acid
Molecular FormulaC4H7NO4
Molecular Weight134.10
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
C([C@@H](C(=O)O)N)[13C](=O)O
InChI
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1/i3+1
InChIKey
CKLJMWTZIZZHCS-NSQKCYGPSA-N
Chemical Structure
2D Structure
2D structure of L-(4-~13~C)Aspartic acid
CAS: 81201-98-1
CID: 16213452
Formula: C4H7NO4
MW: 134.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight134.10
XLogP3-2.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass134.04086254
Monoisotopic Mass134.04086254
Topological Polar Surface Area101 Ų
Heavy Atom Count9
Formal Charge0
Complexity133
Isotope Atom Count1
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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