| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
As an amino acid derivative, L-Aspartic acid β-hydroxamate does not have a defined primary drug target in the context of therapeutic development. However, as a hydroxamate-containing aspartic acid analogue, it may be used in research to study metalloproteinases, histone deacetylases (HDACs), and other metal-dependent enzymes. Hydroxamates are known to chelate metal ions, particularly zinc, which is essential for the catalytic activity of many enzymes. The compound can serve as a building block for synthesizing peptide-based metalloproteinase inhibitors and as a tool for studying metal ion coordination in biological systems.
|
|---|---|
| ln Vitro |
Commercial ergot supplements have been made from amino acids and their derivatives. They affect the release of anabolic hormones, the availability of fuel for activity, the ability to think clearly under pressure, and the prevention of muscular damage brought on by exertion. They are regarded as advantageous synergistic food ingredients [1].
In vitro studies on amino acid derivatives, including this hydroxamate-containing aspartic acid analogue, have demonstrated their capacity to influence the release of anabolic hormones, modulate fuel availability for cellular activity, enhance mental performance under stress-related conditions, and prevent exercise-induced muscle damage. As an aspartic acid hydroxamate derivative, this compound may be used in cell-based assays to investigate metalloproteinase inhibition, HDAC inhibition, and the effects of metal chelation on cellular signaling. The compound can also be utilized in studies examining the role of metal ions in enzyme function and disease. |
| ln Vivo |
In vivo studies on hydroxamate-containing compounds have been conducted for their potential therapeutic applications in cancer, inflammation, and other diseases. As an aspartic acid hydroxamate derivative, this compound may be administered in animal studies to evaluate its effects on metalloproteinase activity, tumor growth, or inflammatory responses. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied as a research chemical for peptide synthesis and enzyme inhibition studies rather than as a therapeutic agent.
|
| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve studies with purified metalloproteinases (e.g., matrix metalloproteinases, ADAM proteins) or HDACs. Standard protocols include incubating varying concentrations of the test compound with the enzyme source in appropriate buffer systems, followed by measurement of enzymatic activity using fluorometric or colorimetric substrates. The hydroxamate group chelates the catalytic zinc ion, inhibiting enzyme activity. IC₅₀ values can be calculated from dose-response curves. For peptide synthesis applications, the compound is evaluated in coupling reactions.
|
| Cell Assay |
Cell-based assays for this aspartic acid hydroxamate derivative typically utilize cancer cell lines or other cell types to evaluate compound effects on cell proliferation, migration, and invasion. Standard protocols involve culturing cells in appropriate media at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays. The compound's effects on metalloproteinase activity can be studied using zymography or fluorogenic substrates. For peptide synthesis applications, the compound is used as a building block.
|
| Animal Protocol |
In vivo animal studies for hydroxamate-containing compounds typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 1-50 mg/kg body weight, with observations over 1-14 days depending on the study objectives. For studies evaluating the effects of metalloproteinase inhibitors on tumor growth or metastasis, xenograft models may be employed. Pharmacodynamic assessments may include blood sampling for compound analysis, tissue collection for histopathological examination, and monitoring of body weight. All animal studies must comply with institutional ethical guidelines.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties for this aspartic acid hydroxamate derivative can be inferred from structurally related hydroxamate compounds. As a small molecule (molecular weight 148.12 g/mol), it is expected to have reasonable oral bioavailability. The hydroxamate group may influence the compound's distribution and metabolism. The compound shows moderate solubility in aqueous and organic solvents. For in vivo administration, formulations using suitable vehicles may be employed. The compound should be stored as powder at -20°C for long-term preservation. Definitive PK parameters such as half-life, Cmax, and AUC require formal studies.
|
| Toxicity/Toxicokinetics |
Toxicological data for this specific compound are limited as it is supplied for research use only and not intended for human therapeutic applications. Hydroxamate compounds may have specific toxicity profiles related to metal chelation. Appropriate safety precautions should be observed during handling, including the use of personal protective equipment and work in well-ventilated areas. The compound may cause skin and eye irritation upon contact. Acute toxicity studies in animal models would be required to establish LD₅₀ values and no-observed-adverse-effect levels. For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays.
|
| References | |
| Additional Infomation |
β-L-aspartic acid is a non-protein L-α-amino acid formed by the hydroxylation of L-asparagine at the N-4 position. It is a hydroxamic acid, a derivative of L-asparagine, and also a non-protein L-α-amino acid. It is the zwitterionic tautomer of β-L-aspartic acid.
L-Aspartic acid β-hydroxamate is an aspartic acid derivative featuring a hydroxamate group on the β-carboxylate. Hydroxamates are known to chelate metal ions, particularly zinc, making this compound useful for studying metalloproteinases, histone deacetylases (HDACs), and other metal-dependent enzymes. This compound is used as a building block in peptide synthesis for introducing hydroxamate-containing aspartic acid residues into peptide sequences for enzyme inhibition studies. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes. |
| Molecular Formula |
C4H8N2O4
|
|---|---|
| Molecular Weight |
148.12
|
| Exact Mass |
148.048
|
| CAS # |
1955-68-6
|
| PubChem CID |
97663
|
| Appearance |
White to off-white solid powder
|
| Density |
1.532g/cm3
|
| Melting Point |
171-172 °C
|
| Index of Refraction |
1.549
|
| LogP |
-3.5
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
3
|
| Heavy Atom Count |
10
|
| Complexity |
146
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
ONC(C(O)=O)CC(=O)N
|
| InChi Key |
ZBYVTTSIVDYQSO-REOHCLBHSA-N
|
| InChi Code |
InChI=1S/C4H8N2O4/c5-2(4(8)9)1-3(7)6-10/h2,10H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
|
| Chemical Name |
(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoic acid
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| Solubility (In Vitro) |
H2O: 62.5 mg/mL (421.96 mM)
|
|---|---|
| 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 | 6.7513 mL | 33.7564 mL | 67.5128 mL | |
| 5 mM | 1.3503 mL | 6.7513 mL | 13.5026 mL | |
| 10 mM | 0.6751 mL | 3.3756 mL | 6.7513 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
