| Size | Price | Stock | Qty |
|---|---|---|---|
| 100g |
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| Other Sizes |
| Targets |
As an amino acid derivative, Boc-D-Asp(OBzl)-OH does not have a defined primary drug target. Its role is as a synthetic intermediate in peptide synthesis. Interestingly, it has been reported as a potent selective endothelin A receptor antagonist. This suggests that the compound itself, or more likely a derivative, can bind to the endothelin receptor and block the action of endothelin, preventing vasoconstriction. However, its primary use is as a building block.
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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 activity of Boc-D-Asp(OBzl)-OH has been reported as a potent selective endothelin A receptor antagonist. It binds to the endothelin receptor and blocks the action of endothelin, which prevents vasoconstriction. This in vitro activity suggests potential cardiovascular applications. However, the compound is primarily used as a building block in peptide synthesis. Amino acid derivatives like this one are also used as ergogenic supplements. |
| ln Vivo |
There is no reported in vivo activity for Boc-D-Asp(OBzl)-OH as a drug substance. The compound is used primarily in research settings for the chemical synthesis of peptides. Any in vivo effects would be attributed to the final peptide products synthesized using this building block. As a protected amino acid, it is not typically administered to animals for pharmacological evaluation, although its endothelin receptor antagonist activity could be explored in vivo.
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| Enzyme Assay |
In vitro receptor binding assays can be used to study the activity of Boc-D-Asp(OBzl)-OH as an endothelin A receptor antagonist. A typical protocol would involve incubating membranes expressing the endothelin A receptor with a radiolabeled endothelin ligand and varying concentrations of the test compound. The amount of bound radioligand is measured, and the IC50 value for displacement is determined. This assay directly measures the compound's ability to bind to the receptor.
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| Cell Assay |
Cell-based assays for Boc-D-Asp(OBzl)-OH could focus on its endothelin receptor antagonist activity. For example, cells expressing the endothelin A receptor could be treated with endothelin in the presence or absence of the compound, and downstream signaling pathways (e.g., calcium mobilization) could be measured. The ability of the compound to block endothelin-induced signaling would demonstrate its functional antagonism.
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| Animal Protocol |
In vivo animal experiments for Boc-D-Asp(OBzl)-OH are not commonly performed. However, given its reported endothelin A receptor antagonist activity, it could be tested in animal models of hypertension or cardiovascular disease. For example, spontaneously hypertensive rats could be treated with the compound, and blood pressure would be monitored to assess its anti-hypertensive effects.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Boc-D-Asp(OBzl)-OH have not been characterized as it is not a drug candidate. The compound is intended for research use only. As a synthetic intermediate, its ADME profile is not relevant. The compound is typically stored as a powder at -20°C for up to 3 years or in solution at -80°C for up to 6 months.
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| Toxicity/Toxicokinetics |
The toxicity profile has not been extensively studied. The compound is classified for research use only and is not intended for human or veterinary use. Standard laboratory safety precautions should be followed. General toxicity data for amino acid derivatives suggest low acute toxicity, but specific toxicological information is not available.
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| References |
[1]. Luckose F, et al. Effects of amino acid derivatives on physical, mental, and physiological activities. Crit Rev Food Sci Nutr. 2015;55(13):1793-1144.
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| Additional Infomation |
Boc-D-Asp(OBzl)-OH is a protected D-aspartic acid derivative used as a building block in peptide synthesis. It has been reported as a potent selective endothelin A receptor antagonist. It is not a drug and has no approved therapeutic indications. The compound is commercially available for research purposes only.
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| Molecular Formula |
C16H21NO6
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|---|---|
| Molecular Weight |
323.34
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| Exact Mass |
323.136
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| CAS # |
51186-58-4
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| PubChem CID |
6994663
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
508.1±50.0 °C at 760 mmHg
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| Flash Point |
261.1±30.1 °C
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| Vapour Pressure |
0.0±1.4 mmHg at 25°C
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| Index of Refraction |
1.527
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| LogP |
3.24
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
23
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| Complexity |
423
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)O
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| InChi Key |
SOHLZANWVLCPHK-LBPRGKRZSA-N
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| InChi Code |
InChI=1S/C16H21NO6/c1-16(2,3)23-15(21)17-12(14(19)20)9-13(18)22-10-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20)/t12-/m0/s1
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| Chemical Name |
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylmethoxybutanoic 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 (~309.3 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.73 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (7.73 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 3: ≥ 2.5 mg/mL (7.73 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0927 mL | 15.4636 mL | 30.9272 mL | |
| 5 mM | 0.6185 mL | 3.0927 mL | 6.1854 mL | |
| 10 mM | 0.3093 mL | 1.5464 mL | 3.0927 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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