| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
β-Aspartylaspartic acid targets enzymes involved in peptide metabolism and protein processing. The compound can serve as a ligand in targeting SDF-1/CXCL12, preventing activation of CXCR4 through structure-based drug design. Its role in mimicking peptide sequences found in proteins makes it useful for studying protein-protein interactions and enzymatic specificity.
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| ln Vitro |
In vitro studies demonstrate that β-aspartylaspartic acid is useful for studying enzymatic activity and protein folding processes. As a dipeptide with a β-peptide bond, it serves as a model compound for understanding the specificity of proteases and peptidases. Its ability to mimic peptide sequences found in proteins makes it valuable for studying molecular recognition and protein-protein interactions.
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| ln Vivo |
In vivo activity data for β-aspartylaspartic acid are limited, as the compound is primarily used as a research tool in biochemical studies. As a natural compound found in asparagus shoots, it may contribute to the nutritional and health properties of asparagus. However, specific pharmacological activities in vivo have not been extensively characterized.
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| Enzyme Assay |
Non-cellular assays for β-aspartylaspartic acid typically involve studying its interactions with enzymes such as proteases and peptidases. The compound is incubated with purified enzymes, and its hydrolysis or binding is monitored using HPLC or mass spectrometry. Enzyme kinetic parameters such as Km and Vmax can be determined. These cell-free systems allow for characterization of enzyme specificity and activity.
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| Cell Assay |
Cellular assays for β-aspartylaspartic acid are limited. The compound may be used in cell culture to study peptide transport or metabolism. Its effects on cell signaling through CXCR4 modulation can be assessed in cells expressing the receptor. However, comprehensive cell-based studies have not been extensively reported in the literature.
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| Animal Protocol |
In vivo animal experiments for β-aspartylaspartic acid are not typically conducted, as the compound is a research reagent rather than a therapeutic agent. Its natural presence in asparagus suggests it may be consumed as part of the diet. However, specific pharmacological studies in animal models are limited.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of β-aspartylaspartic acid are not well-characterized. The compound is soluble in DMSO at 100 mg/mL. As a dipeptide with molecular weight 248.19 g/mol, it may be absorbed from the gastrointestinal tract to some extent but is likely rapidly metabolized by peptidases. Its stability in biological fluids and its distribution in vivo have not been extensively studied.
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| Toxicity/Toxicokinetics |
Toxicological data for β-aspartylaspartic acid are limited, as it is a natural compound found in food and a research reagent. No significant toxicity has been reported. The compound is generally considered safe for research use. Standard laboratory safety precautions should be followed when handling the compound.
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| References | |
| Additional Infomation |
β-Aspartic acid is a derivative of aspartic acid.
Other information includes β-aspartylaspartic acid's presence as a natural compound in asparagus (Asparagus officinalis) shoots. It is a dipeptide composed of two aspartic acid molecules linked by a β-peptide bond. The compound is used as a ligand in targeting SDF-1/CXCL12, preventing activation of CXCR4 through structure-based drug design. It is instrumental in understanding enzymatic activity and protein folding processes, providing insights into fundamental biochemical pathways. The compound is available as a research reagent. |
| Molecular Formula |
C8H12N2O7
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|---|---|
| Molecular Weight |
248.19
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| Exact Mass |
248.064
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| CAS # |
60079-22-3
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| PubChem CID |
453623
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| Appearance |
White to off-white solid
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| Density |
1.6±0.1 g/cm3
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| Boiling Point |
594.1±50.0 °C at 760 mmHg
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| Flash Point |
313.1±30.1 °C
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| Vapour Pressure |
0.0±3.6 mmHg at 25°C
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| Index of Refraction |
1.571
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| LogP |
-1.33
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| Hydrogen Bond Donor Count |
5
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
17
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| Complexity |
341
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| Defined Atom Stereocenter Count |
2
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| SMILES |
O=C(O)[C@@H](N)CC(N[C@H](C(O)=O)CC(O)=O)=O
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| InChi Key |
KXAWLANLJYMEGB-IMJSIDKUSA-N
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| InChi Code |
InChI=1S/C8H12N2O7/c9-3(7(14)15)1-5(11)10-4(8(16)17)2-6(12)13/h3-4H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)/t3-,4-/m0/s1
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| Chemical Name |
(2S)-2-[[(3S)-3-amino-3-carboxypropanoyl]amino]butanedioic acid
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| Synonyms |
L-β-Aspartyl-L-aspartic acid; β-Aspartylaspartic 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 (402.92 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.07 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 (10.07 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 (10.07 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0292 mL | 20.1459 mL | 40.2917 mL | |
| 5 mM | 0.8058 mL | 4.0292 mL | 8.0583 mL | |
| 10 mM | 0.4029 mL | 2.0146 mL | 4.0292 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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