| Size | Price | Stock | Qty |
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| 10g |
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| Targets |
As an amino acid derivative, 2-(Bis(2-(tert-butoxy)-2-oxoethyl)amino)acetic acid does not have a defined primary drug target in the context of therapeutic development. However, as a glycine derivative with metal-chelating properties, it may be used in research to study metal ion coordination, peptide conformation, and enzyme-substrate interactions. The compound can serve as a chelating agent for metal ions, making it useful for studying metalloproteins, metal-catalyzed reactions, and as a building block for synthesizing metal-binding peptides. The two tert-butyl ester groups allow for selective deprotection under acidic conditions.
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| 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 glycine 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 a glycine derivative with metal-chelating properties, this compound may be used in cell-based assays to investigate metal ion homeostasis, chelation therapy, and the effects of metal-binding compounds on cellular metabolism. 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 amino acid derivatives have shown that 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. As a glycine derivative with metal-chelating properties, this compound may be administered in animal studies to evaluate its effects on metal ion homeostasis or to study the pharmacokinetics and bioavailability of metal-chelating compounds. 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 chelation studies rather than as a therapeutic agent. The tert-butyl ester groups would likely be cleaved in vivo to release the active chelating agent.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve studies with purified metalloproteins or metal ions to evaluate metal-chelating properties. Standard protocols include incubating varying concentrations of the test compound with metal ions (e.g., Zn²⁺, Cu²⁺, Fe³⁺) in appropriate buffer systems, followed by measurement of metal binding using spectrophotometric, fluorometric, or atomic absorption methods. For peptide synthesis applications, the compound is evaluated in coupling reactions using standard peptide synthesis chemistry to assess reactivity and coupling efficiency. The tert-butyl ester groups can be removed under acidic conditions.
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| Cell Assay |
Cell-based assays for this glycine derivative with metal-chelating properties typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular metal ion homeostasis. 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 metal ion levels can be measured using atomic absorption spectroscopy or metal-sensitive fluorescent probes. For peptide synthesis applications, the compound is used as a building block.
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| Animal Protocol |
In vivo animal studies for amino acid derivatives typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 10-100 mg/kg body weight, with observations over 1-14 days depending on the study objectives. For studies evaluating the effects of metal-chelating compounds, animals may be administered the compound and monitored for changes in metal ion levels, oxidative stress markers, or disease progression in models of metal-related disorders. Pharmacodynamic assessments may include blood and tissue sampling for metal analysis, histopathological examination, and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this glycine derivative with tert-butyl ester groups can be inferred from structurally related compounds. As a medium-sized molecule, it is expected to have moderate bioavailability. The tert-butyl ester groups are likely to be cleaved in vivo to release the active chelating agent. The compound shows moderate solubility in organic solvents such as DMSO and can be formulated for in vitro studies. For in vivo administration, formulations using suitable co-solvent systems 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.
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| 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. Amino acid derivatives in general are considered to have low inherent toxicity based on their natural amino acid origins. However, metal-chelating compounds may have specific toxicity profiles related to metal ion depletion. 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 (NOAEL). For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays.
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| References | |
| Additional Infomation |
2-(Bis(2-(tert-butoxy)-2-oxoethyl)amino)acetic acid is a glycine derivative featuring two tert-butyl ester groups on a tertiary amine. The compound can serve as a chelating agent for metal ions, making it useful for studying metalloproteins and metal-catalyzed reactions. This compound is used as a building block in peptide synthesis for introducing metal-binding glycine residues into peptide sequences. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes.
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| Molecular Formula |
C14H25NO6
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| Molecular Weight |
303.35
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| Exact Mass |
303.168
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| CAS # |
171557-31-6
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| PubChem CID |
10542461
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| Appearance |
White to light yellow solid powder
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| Density |
1.129
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| LogP |
1.056
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
21
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| Complexity |
361
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(O)CN(CC(OC(C)(C)C)=O)CC(OC(C)(C)C)=O
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| InChi Key |
DEUFNPOTWJNGNL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H25NO6/c1-13(2,3)20-11(18)8-15(7-10(16)17)9-12(19)21-14(4,5)6/h7-9H2,1-6H3,(H,16,17)
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| Chemical Name |
2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetic 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 (329.65 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.24 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. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.24 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.2965 mL | 16.4826 mL | 32.9652 mL | |
| 5 mM | 0.6593 mL | 3.2965 mL | 6.5930 mL | |
| 10 mM | 0.3297 mL | 1.6483 mL | 3.2965 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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