| Size | Price | Stock | Qty |
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| 100mg |
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| Other Sizes |
| Targets |
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite and structural analog of N-acetylaspartate (NAA), which is a marker of neuronal integrity and osmoregulator in the brain. The compound may interact with aspartoacylase (ASPA), the enzyme that hydrolyzes NAA to aspartate and acetate. Its precise binding affinity has not been characterized. In research, it serves as a substrate analog for studying amidotransferase and transaminase enzymes.
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| ln Vitro |
In vitro, (S)-2-acetamido-4-amino-4-oxobutanoic acid is used as a biochemical tool to probe enzymatic mechanisms involving amidation and transamination. It can serve as a substrate or inhibitor for aspartate-related enzymes including aspartate aminotransferase, asparagine synthetase, and aspartoacylase. In peptide synthesis applications, it is used as a building block for developing peptide-based therapeutics. No specific IC50 or EC50 values have been reported for pharmacological targets.
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| ln Vivo |
(S)-2-acetamido-4-amino-4-oxobutanoic acid is an endogenous metabolite and has no established in vivo pharmacological activity as a drug. As a structural analog of N-acetylaspartate (NAA), it could theoretically influence brain osmoregulation and neuronal energy metabolism if administered exogenously. However, this compound is used almost exclusively as a research reagent for in vitro biochemical studies and peptide synthesis, not for in vivo efficacy studies.
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| Enzyme Assay |
For in vitro enzyme assays, (S)-2-acetamido-4-amino-4-oxobutanoic acid is dissolved in an appropriate buffer (e.g., sodium phosphate buffer, pH 7.4, or Tris-HCl buffer) at concentrations typically ranging from 10 microM to 10 mM. For amidotransferase assays, the compound is incubated with purified enzyme and appropriate cofactors (e.g., ATP, Mg2+) at 25-37degC. Reaction progress is monitored by HPLC or LC-MS to measure product formation. Kinetic parameters (Km, Vmax) can be determined by varying substrate concentrations.
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| Cell Assay |
For cell-based studies, neuronal cell lines (e.g., SH-SY5Y, PC12) or primary neurons are cultured in standard medium (DMEM with 10% FBS). Cells are treated with (S)-2-acetamido-4-amino-4-oxobutanoic acid at concentrations ranging from 10 microM to 1 mM for 0-48 hours. Cellular effects such as cell viability (MTT assay), reactive oxygen species (DCFDA), or NAA levels (LC-MS) can be measured. The compound can also be used to study amino acid metabolism and neurotransmitter balance in disease models.
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| Animal Protocol |
For in vivo studies, (S)-2-acetamido-4-amino-4-oxobutanoic acid may be administered to rodents via intracerebroventricular injection (ICV) to deliver the compound directly to the brain, or via intraperitoneal injection (e.g., 10-100 mg/kg) for systemic studies. Blood and brain tissue samples are collected at various time points (0, 15, 30, 60, 120, 240 min). Samples are processed for LC-MS analysis to quantify the compound and its metabolites, or for biochemical assays to measure enzyme activity levels.
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| ADME/Pharmacokinetics |
(S)-2-acetamido-4-amino-4-oxobutanoic acid is a research reagent with no established PK parameters. As a small, hydrophilic amino acid derivative (MW 174.15, highly soluble in water and DMSO), it is expected to have low oral bioavailability, limited blood-brain barrier penetration (unless administered directly to the CNS), and rapid renal elimination. Its structural analog N-acetylaspartate has a plasma half-life of approximately 30-60 minutes in rodents. Detailed PK studies have not been reported for this specific compound.
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| Toxicity/Toxicokinetics |
(S)-2-acetamido-4-amino-4-oxobutanoic acid is a naturally occurring endogenous metabolite with low expected toxicity. The LD50 has not been formally determined. It is highly soluble (100 mg/mL in both DMSO and water). As a chiral amino acid derivative, it may cause mild irritation upon contact. Standard laboratory safety precautions (gloves, safety glasses) are recommended. No specific toxicity data is reported for this compound. Not intended for human consumption.
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| Additional Infomation |
N-α-acetyl-L-asparagine is a derivative of asparagine.
This compound is not a drug and has no approved therapeutic status. It is exclusively a research-use biochemical used for peptide synthesis, enzymology studies, and neurological disease models. (S)-2-acetamido-4-amino-4-oxobutanoic acid is the N-acetylated derivative of L-asparagine. It is used to probe mechanisms involving amidation, transamination, and metabolic regulation, with relevance to neurotransmitter balance and cellular energy homeostasis. Available with ≥95% purity from commercial sources. |
| Molecular Formula |
C6H10N2O4
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|---|---|
| Molecular Weight |
174.15
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| Exact Mass |
174.064
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| CAS # |
4033-40-3
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| PubChem CID |
99715
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
588.7±45.0 °C at 760 mmHg
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| Melting Point |
168-170ºC
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| Flash Point |
309.8±28.7 °C
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| Vapour Pressure |
0.0±3.6 mmHg at 25°C
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| Index of Refraction |
1.508
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| LogP |
-1.84
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
12
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| Complexity |
214
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(=O)N[C@@H](CC(=O)N)C(=O)O
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| InChi Key |
HXFOXFJUNFFYMO-BYPYZUCNSA-N
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| InChi Code |
InChI=1S/C6H10N2O4/c1-3(9)8-4(6(11)12)2-5(7)10/h4H,2H2,1H3,(H2,7,10)(H,8,9)(H,11,12)/t4-/m0/s1
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| Chemical Name |
(2S)-2-acetamido-4-amino-4-oxobutanoic 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 |
| 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) |
DMSO: 100 mg/mL (574.22 mM)
H2O: 100 mg/mL (574.22 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (14.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. Solubility in Formulation 4: 50 mg/mL (287.11 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.7422 mL | 28.7109 mL | 57.4218 mL | |
| 5 mM | 1.1484 mL | 5.7422 mL | 11.4844 mL | |
| 10 mM | 0.5742 mL | 2.8711 mL | 5.7422 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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