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| Targets |
No direct pharmacological target; L-Aspartic acid-13C4,15N is a stable isotope-labeled compound used as an internal standard in mass spectrometry. The unlabeled L-aspartic acid is a non-essential amino acid that plays critical roles in the urea cycle, gluconeogenesis, nucleotide synthesis, and neurotransmission. It serves as a precursor for the synthesis of other amino acids (asparagine, methionine, threonine, isoleucine) and is involved in the malate-aspartate shuttle for transferring reducing equivalents across the mitochondrial membrane. L-Aspartic acid also acts as an excitatory neurotransmitter in the central nervous system by activating NMDA receptors (N-methyl-D-aspartate receptors) and other glutamate receptors, though its potency is lower than L-glutamate.
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| ln Vitro |
As a stable isotope-labeled amino acid, L-Aspartic acid-13C4,15N has no direct biological activity; it is used as an analytical standard. The unlabeled L-aspartic acid is an important amino acid in protein synthesis and metabolism. It is involved in: (1) The urea cycle: aspartate is condensed with citrulline to form argininosuccinate. (2) Gluconeogenesis: aspartate can be transaminated to oxaloacetate, which enters the gluconeogenic pathway. (3) Nucleotide synthesis: aspartate provides carbon and nitrogen for the synthesis of pyrimidines (dihydroorotate) and purines (adenylosuccinate). (4) Neurotransmission: L-aspartate acts as an excitatory neurotransmitter in the CNS, though less potent than L-glutamate. (5) Colon-specific drug delivery: L-Aspartic acid has been shown to be a suitable proagent for colon-specific active molecule delivery, as it can be conjugated to drugs and released in the colon by bacterial enzymes. In in vitro assays, L-aspartic acid at physiological concentrations (1-100 uM) supports cell growth and metabolism. No direct cytotoxic or signaling effects are observed except at very high concentrations (>10 mM).
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| ln Vivo |
No direct in vivo activity; L-Aspartic acid-13C4,15N is used as an internal standard for quantification of L-aspartic acid in biological samples. The unlabeled L-aspartic acid is an endogenous amino acid present in all living organisms. It plays key roles in metabolic pathways such as the urea cycle, gluconeogenesis, and neurotransmission. In animal studies, L-aspartic acid administration (100-500 mg/kg, PO or IP) may influence ammonia detoxification (via the urea cycle) and may modulate neuronal excitability in the CNS. However, L-aspartic acid is rapidly metabolized and cleared. As a dietary supplement, L-aspartic acid has been studied for its effects on athletic performance, fatigue reduction, and neuroprotection, but clinical evidence is limited. L-Aspartic acid-13C4,15N is not administered for pharmacological effects; instead, it is used to trace the fate of L-aspartic acid in metabolic studies.
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| Enzyme Assay |
No specific enzyme/receptor binding protocol for the labeled compound. For use as an internal standard in LC-MS/MS: (1) Prepare a stock solution of L-Aspartic acid-13C4,15N in 0.1% formic acid in water or methanol/water (1:1) at 1 mg/mL. (2) Dilute the stock to prepare calibration standards: spike known concentrations of unlabeled L-aspartic acid (analyte, 0.1-1000 ng/mL) with a fixed concentration of the labeled internal standard (e.g., 100 ng/mL) into blank biological matrix (plasma, serum, urine, tissue homogenate). (3) For protein precipitation: add 3-5 volumes of ice-cold acetonitrile or methanol containing 0.1% formic acid to 50-100 uL of sample. (4) Vortex, centrifuge at 14,000 rpm for 10 min at 4degC. (5) Transfer supernatant to a clean tube, evaporate to dryness under nitrogen, reconstitute in mobile phase (e.g., 0.1% formic acid in water, or 0.1% formic acid in acetonitrile/water, 5:95). (6) Separate on a HILIC column (e.g., ZIC-HILIC, 2.1 × 100 mm, 3.5 um) or a C18 reverse-phase column (2.1 × 50 mm, 1.7 um) with ion-pairing reagents (e.g., heptafluorobutyric acid, HFBA) for retention. (7) For LC-MS/MS detection: use ESI in positive ion mode. MRM transitions: For unlabeled L-aspartic acid: m/z 134 → 88 (or 134 → 74). For L-Aspartic acid-13C4,15N: m/z 138 → 88 (or 138 → 74 or 138 → 90). The shift of +4 Da due to 13C labeling and +1 Da due to 15N labeling gives a total mass shift of +5 Da (from m/z 134 to 139). (8) Use the analyte/internal standard peak area ratio to calculate concentration via calibration curve.
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| Cell Assay |
(1) For metabolic flux studies: seed primary hepatocytes, cancer cells, or other cell types in 6-well or 12-well plates in glutamine-free medium. (2) Culture cells with L-Aspartic acid-13C4,15N (0.1-10 mM) in the culture medium for 2-24 hours. (3) Harvest cells and culture medium separately. (4) Extract metabolites using 80% ice-cold methanol (1 mL) with vigorous vortexing, centrifuge at 14,000 rpm for 10 min at 4degC, collect supernatant, evaporate to dryness. (5) Reconstitute in water/acetonitrile (1:1) and analyze by LC-MS/MS or high-resolution mass spectrometry (HRMS). (6) Trace the incorporation of 13C and 15N isotopes into downstream metabolites: e.g., oxaloacetate, malate, fumarate (TCA cycle), asparagine, purines, pyrimidines, and urea cycle intermediates. (7) Quantify isotopic enrichment (13C/12C ratio and 15N/14N ratio) to determine the metabolic flux of L-aspartic acid into various pathways. (8) For cell viability: treat cells with unlabeled L-aspartic acid (1-100 mM) for 24-72 h, add MTT or CCK-8 to ensure non-cytotoxicity at labeling concentrations. (9) For neuron cultures: use primary cortical or hippocampal neurons; treat with L-Aspartic acid (10-500 uM) for 0-24 h; measure calcium influx (using Fura-2 AM) or perform patch-clamp recordings to study NMDA receptor activation.
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| Animal Protocol |
(1) For in vivo metabolic tracing: use 6-8 week old male C57BL/6 mice (20-25 g). (2) Fast mice overnight (12-16 h) before the experiment. (3) Administer L-Aspartic acid-13C4,15N by oral gavage (100-500 mg/kg body weight in 100-200 uL of sterile water) or by intraperitoneal injection (50-200 mg/kg). (4) For IV administration: dissolve in sterile PBS and inject via tail vein (10-50 mg/kg). (5) Collect blood at time points (0, 15, 30, 60, 120, 240 min) from tail vein or by cardiac puncture at endpoint. (6) Collect tissues (liver, kidney, brain, muscle, intestine) at 30, 60, 120, 240 min post-administration; flash freeze in liquid nitrogen. (7) Homogenize tissues in cold 80% methanol (1:5 w/v), centrifuge at 14,000 rpm for 10 min at 4degC, collect supernatant. (8) Analyze by LC-MS/MS or HRMS as described in field 5. (9) Calculate the enrichment of 13C and 15N in L-aspartic acid and its downstream metabolites (oxaloacetate, malate, asparagine, urea cycle intermediates) in plasma and tissues. (10) Determine metabolic flux and pathway utilization of aspartate in vivo. (11) For pharmacokinetics: quantify the concentration of unlabeled and labeled aspartic acid in plasma by LC-MS/MS using isotope dilution. Calculate PK parameters: Cmax, Tmax, t1/2, AUC, clearance. (12) As L-aspartic acid is an endogenous metabolite, baseline levels must be subtracted. Use unlabeled control animals for baseline correction.
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| ADME/Pharmacokinetics |
Standard formulation for L-Aspartic acid-13C4,15N: as an internal standard, prepare a stock solution in water or 0.1% formic acid in water at 1 mg/mL. For in vivo administration (tracer studies), dissolve the labeled compound in sterile water or PBS at 50-200 mg/mL. For oral gavage, dissolve in water at 100-500 mg/mL (can be heated to 37degC to assist dissolution). For IP injection, dissolve in PBS at 20-100 mg/mL. For IV injection, dissolve in PBS at 10-20 mg/mL and filter sterilize (0.22 um). Storage: powder stable at -20degC for 3 years, protect from light. In solution: store at -20degC for up to 6 months, avoid repeated freeze-thaw cycles. Solubility: L-Aspartic acid is moderately soluble in water (5-10 mg/mL); at neutral pH, the sodium salt form is more soluble. The 13C/15N labeled form has identical solubility properties. L-Aspartic acid has an isoelectric point (pI) of 2.77 and is soluble in water at low concentrations; at higher concentrations, heating or mild base (NaOH) may be needed to dissolve. For biological applications, adjust pH to 7.0-7.4 with NaOH if necessary.
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| Toxicity/Toxicokinetics |
L-Aspartic acid-13C4,15N is considered non-toxic as it is a stable isotope-labeled form of a naturally occurring amino acid. The unlabeled L-aspartic acid is an endogenous metabolite present in all cells at concentrations of 0.1-1 mM. Acute toxicity: oral LD50 of L-aspartic acid in rats > 5000 mg/kg; IV LD50 > 2000 mg/kg. In vitro: CCK-8 assay on HEK293 cells with L-aspartic acid (1-100 mM, 48 h) shows IC50 > 50 mM. At high concentrations (>10 mM), mild osmotic stress may occur in cell culture. In vivo: administration of L-aspartic acid at 1000 mg/kg (PO) in mice causes no overt toxicity. The labeled compound has no additional toxicity beyond the unlabeled compound. The product is for research use only, not for human therapeutic use. For safety, use standard laboratory precautions: gloves, lab coat, eye protection. No carcinogenic, teratogenic, or reproductive toxicity data is available.
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| References |
[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.
[2]. 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. [3]. 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. |
| Additional Infomation |
Aspartic acid is an α-amino acid composed of a succinic acid molecule linked to an α-amino substituent. It is an important metabolite. Aspartic acid is an α-amino acid, a C4-dicarboxylic acid, and a polar amino acid containing a carboxymethyl group. It is the conjugate acid of aspartic acid (1-) and aspartic acid. DL-aspartic acid has been reported in Drosophila melanogaster, Mycoplasma gallisepticum, and other organisms with relevant data. It is one of the common non-essential amino acids, existing in the L-form. It is found in both plants and animals, particularly in sugarcane and sugar beets. It may be a neurotransmitter. See also: Aspartic acid (note moved to).
L-Aspartic acid-13C4,15N is a stable isotope-labeled amino acid containing 13C and 15N isotopes. It is used as an internal standard for the quantification of L-aspartic acid by GC-MS or LC-MS in pharmacokinetic studies, clinical chemistry, metabolomics, and metabolic flux analysis. L-Aspartic acid is a non-essential amino acid that serves as a key metabolic intermediate in the TCA cycle (via oxaloacetate), the urea cycle, nucleotide synthesis, and gluconeogenesis. It also acts as a neurotransmitter in the CNS. The labeled compound allows for precise tracing of aspartate metabolism in cells and animals, enabling the study of disease-related metabolic alterations (e.g., in cancer, diabetes, and neurological disorders). The product is not a drug and is not FDA-approved; it is strictly for research use in analytical method development, metabolic labeling, and stable isotope dilution mass spectrometry. Isotopic purity is 98 atom % 13C and 98 atom % 15N, with chemical purity ≥95% (CP). This product is intended for laboratory research purposes only and is not for diagnostic, therapeutic, or clinical applications. |
| Molecular Formula |
13C4H715NO4
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|---|---|
| Molecular Weight |
138.07
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| Exact Mass |
138.047
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| CAS # |
202468-27-7
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| Related CAS # |
L-Aspartic acid;56-84-8
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| PubChem CID |
424
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| Appearance |
White to off-white solid powder
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| Density |
1.5±0.1 g/cm3
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| Melting Point |
>300 ℃ (dec.)(lit.)
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| Index of Refraction |
1.531
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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 |
[13CH2]([13C@@H]([13C](=O)O)[15NH2])[13C](=O)O
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| InChi Key |
CKLJMWTZIZZHCS-UHFFFAOYSA-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)
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| Chemical Name |
2-aminobutanedioic 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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 | 7.2427 mL | 36.2135 mL | 72.4270 mL | |
| 5 mM | 1.4485 mL | 7.2427 mL | 14.4854 mL | |
| 10 mM | 0.7243 mL | 3.6214 mL | 7.2427 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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