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Not applicable; L-Aspartic acid-1,4-13C2 is a stable isotope-labeled amino acid used as an internal standard and metabolic tracer, not a pharmacologically active drug. The unlabeled parent compound L-aspartic acid is an endogenous amino acid that has been shown to be a suitable prodrug for colon-specific drug delivery. However, the ¹3C-labeled version is used for analytical purposes only. L-aspartic acid is also involved in the urea cycle and gluconeogenesis, but the labeled analog serves as a tracer for these pathways.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
L-Aspartic acid-1,4-13C2 is intended for use as an internal standard and metabolic tracer and does not directly exert pharmacological effects in vitro. The unlabeled L-aspartic acid is an amino acid that can be used as a prodrug for colon-specific drug delivery. In cell-free systems, the labeled version is used to calibrate mass spectrometers and NMR spectrometers, and to validate analytical methods for amino acid quantification. It is also used in metabolic flux analysis to trace aspartate metabolism through various pathways, including the urea cycle, gluconeogenesis, and nucleotide biosynthesis. |
| ln Vivo |
L-Aspartic acid-1,4-13C2 is not intended for therapeutic use but is used in animal models as a metabolic tracer to study aspartate metabolism, gluconeogenesis, the urea cycle, and nucleotide biosynthesis. Administered orally or intravenously, the ¹3C label can be tracked into various metabolites (e.g., oxaloacetate, fumarate, malate) in blood and tissues, enabling quantification of metabolic fluxes. It is particularly valuable for studying the role of aspartate in the malate-aspartate shuttle, which is critical for maintaining cellular redox balance and energy production. The compound is also used as an internal standard in pharmacokinetic studies.
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| Enzyme Assay |
For quantitative LC-MS/MS analysis of aspartic acid, prepare a stock solution of L-Aspartic acid-1,4-13C2 in water or 0.1% formic acid at 1 mg/mL. Spike a known amount (e.g., 10-100 ng/mL) of the labeled standard into biological samples (plasma, urine, tissue homogenates) after protein precipitation with acetonitrile or methanol. Derivatize amino acids if needed (e.g., with dansyl chloride or iTRAQ). Separate on a C18 or HILIC column using a mobile phase of 0.1% formic acid in water and acetonitrile. Detect by positive ion electrospray ionization (ESI+) and multiple reaction monitoring (MRM). Quantify by isotope dilution using the peak area ratio of unlabeled aspartic acid to L-Aspartic acid-1,4-13C2 against a calibration curve.
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| Cell Assay |
For cell culture metabolic flux studies, grow cells in aspartate-free or standard medium supplemented with L-Aspartic acid-1,4-13C2 (0.1-5 mM). Incubate cells for 0-72 hours. Harvest cells at various time points, wash with PBS, and extract intracellular metabolites with cold methanol/water (80:20 v/v). Analyze the aqueous phase by LC-MS/MS or NMR. The ¹3C label can be tracked into metabolites of the TCA cycle (oxaloacetate, fumarate, malate), the urea cycle (argininosuccinate), and nucleotide biosynthesis (aspartate is a precursor for pyrimidine synthesis). This allows calculation of metabolic fluxes through these pathways. For protein synthesis studies, hydrolyze cell pellets in 6 M HCl and analyze the labeled aspartic acid incorporated into protein.
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| Animal Protocol |
For in vivo metabolic tracing, fast animals overnight. Administer L-Aspartic acid-1,4-13C2 via intraperitoneal injection or oral gavage (e.g., 100-500 mg/kg body weight). Collect blood, urine, and tissues (liver, kidney, muscle) at multiple time points (e.g., 0, 15, 30, 60, 120 min). For plasma and tissue extracts, prepare samples as described in the assay protocol above. Measure ¹3C enrichment in aspartate and downstream metabolites (oxaloacetate, fumarate, malate, argininosuccinate, pyrimidines) by LC-MS/MS or NMR. Calculate metabolic fluxes through the malate-aspartate shuttle, urea cycle, and gluconeogenesis. This approach is used to study metabolic disorders and the effects of drugs on amino acid metabolism.
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| ADME/Pharmacokinetics |
L-Aspartic acid-1,4-13C2: Molecular formula ¹3C2C2H₇NO4 (effective formula C4H₇NO4 with ¹3C at two positions). Molecular weight: 135.09 g/mol (unlabeled aspartic acid 133.10). Appearance: White crystalline powder. Purity: ≥98% by HPLC; isotopic enrichment: ≥99 atom% ¹3C. Solubility: Soluble in water (1-5 mg/mL). Storage: Store powder at -20degC or 4degC, sealed, protected from light and moisture. In solution, store at -80degC for up to 6 months. Shipping: Room temperature. The compound is also known as L-Aspartic Acid (1,4-13C2, 99%) and is supplied for research use only. It is a controlled substance for internal standards.
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| Toxicity/Toxicokinetics |
L-Aspartic acid is an endogenous amino acid with low toxicity. The ¹3C-labeled analog shares the same safety profile. Standard laboratory precautions should be followed when handling the pure powder: wear appropriate personal protective equipment (lab coat, gloves, safety glasses), avoid dust inhalation and contact with eyes, and wash hands thoroughly after handling. The compound is not intended for therapeutic use in humans; it is for research use only. No significant acute toxicity has been reported at typical research doses. However, always consult the Safety Data Sheet (SDS) for detailed safety information before use.
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| References | |
| Additional Infomation |
Aspartic acid-1,4-(13)C2 is a (13)C modified compound, a derivative of aspartic acid, in which the carbon atoms at positions 1 and 4 exist in their (13)C isotopic form. It is both a (13)C modified compound and an aspartic acid.
L-Aspartic acid-1,4-13C2 is a stable isotope-labeled form of L-aspartic acid with ¹3C enrichment at the 1 and 4 positions. L-Aspartic acid is an amino acid that has been shown to be a suitable prodrug for colon-specific drug delivery. The ¹3C-labeled version is used as an internal standard for quantitative analysis by LC-MS, GC-MS, and NMR, as well as a metabolic tracer for studying aspartate metabolism, the urea cycle, gluconeogenesis, nucleotide biosynthesis, and the malate-aspartate shuttle. The compound is supplied as a high-purity reference standard for research use only. It is also known as L-Aspartic Acid (1,4-13C2, 99%) and has a CAS number 101247-29-4. For research use only; not for human therapeutic use. |
| Molecular Formula |
C4H7NO4
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|---|---|
| Molecular Weight |
135.087990999222
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| Exact Mass |
135.044
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| CAS # |
101247-29-4
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| Related CAS # |
L-Aspartic acid;56-84-8
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| PubChem CID |
71308911
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| Appearance |
White to off-white solid powder
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| LogP |
-2.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
9
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| Complexity |
133
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O[13C](C(C[13C](=O)O)N)=O
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| InChi Key |
CKLJMWTZIZZHCS-CQDYUVAPSA-N
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| InChi Code |
InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i3+1,4+1
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| Chemical Name |
2-amino(1,4-13C2)butanedioic acid
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.4025 mL | 37.0124 mL | 74.0247 mL | |
| 5 mM | 1.4805 mL | 7.4025 mL | 14.8049 mL | |
| 10 mM | 0.7402 mL | 3.7012 mL | 7.4025 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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