| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Boc-Asp-OtBu does not have a specific biological target. Its primary utility is as a chemical building block in organic synthesis, particularly in peptide chemistry. The compound serves as a protected aspartic acid unit that can be incorporated into peptide chains while the Boc and tert-butyl groups protect the amino and α-carboxyl groups, respectively, from unwanted reactions. Aspartic acid is a non-essential amino acid, but in its protected form, the compound is not designed to interact with biological receptors or enzymes. Its value lies in its chemical properties as a synthetic intermediate, enabling the construction of complex peptides and pharmaceutical compounds.
|
|---|---|
| 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].
Boc-Asp-OtBu does not exhibit pharmacological activity in vitro. As a protected amino acid derivative, it is a synthetic intermediate rather than a bioactive compound. In vitro studies using this compound focus on its chemical reactivity, such as its use in peptide bond formation reactions, rather than assessments of pharmacological activity. The compound may be used as a substrate in enzymatic assays to study esterase activity, as the tert-butyl ester can be cleaved by certain hydrolases. However, these are analytical applications rather than pharmacological assessments. The compound does not bind to receptors, inhibit enzymes, or produce cytotoxic effects in cell-based assays at concentrations typically used for synthesis. Its role in research is almost exclusively as a reagent for organic synthesis. |
| ln Vivo |
Boc-Asp-OtBu is not a pharmacologically active compound and therefore does not have defined in vivo activity as a drug. When administered to animals, the compound would likely be metabolized to release aspartic acid, which would then enter normal metabolic pathways. However, the compound is not used therapeutically, and its in vivo effects would be limited to those of the released aspartic acid. Its primary value remains in synthetic chemistry, where it serves as a building block for the preparation of peptides and pharmaceutical intermediates.
|
| Enzyme Assay |
In vitro assays for Boc-Asp-OtBu are primarily focused on its chemical properties and reactivity rather than biological activity. Standard protocols in peptide synthesis involve the use of this compound as a protected aspartic acid building block. The compound is typically dissolved in polar aprotic solvents such as DMF or DCM and coupled to a growing peptide chain on a solid support using standard peptide coupling reagents such as HATU, HOBt, or DIC. The progress of the coupling reaction can be monitored by HPLC or TLC. The Boc group can be removed under acidic conditions (e.g., TFA), and the tert-butyl ester can be removed under acidic conditions, revealing the free amino and carboxyl groups for further functionalization or peptide chain elongation.
|
| Cell Assay |
In vitro cellular assays using Boc-Asp-OtBu are not commonly performed because the compound lacks intrinsic biological activity. The compound is used exclusively in synthetic chemistry applications and is not designed for cell culture studies. Its use is confined to the laboratory, where it serves as a building block for the preparation of peptides and pharmaceutical compounds.
|
| Animal Protocol |
In vivo animal studies with Boc-Asp-OtBu are not typically conducted, as the compound is a synthetic intermediate rather than a pharmacologically active agent. If used in vivo, the compound would be administered to animals to study the metabolism of protected amino acid derivatives. However, such studies are rare, and the compound is generally used exclusively in synthetic chemistry applications. Its use is confined to the laboratory, where it serves as a building block for the preparation of peptides and pharmaceutical compounds.
|
| ADME/Pharmacokinetics |
Boc-Asp-OtBu is not a drug candidate, and pharmacokinetic data are not available. As a protected amino acid derivative, it is designed for chemical synthesis rather than systemic administration. If administered in vivo, the compound would likely be hydrolyzed to release aspartic acid. The compound's pharmacokinetic properties have not been characterized, and its use is confined to in vitro synthetic applications.
|
| Toxicity/Toxicokinetics |
The compound is generally considered to have low toxicity, consistent with its use as a chemical reagent. The compound should be stored at 2-8°C. Standard laboratory safety precautions, including the use of personal protective equipment, are recommended. It is not classified as a highly toxic substance, but appropriate safety measures should be followed. Inhalation, ingestion, or skin contact should be avoided.
|
| References | |
| Additional Infomation |
Boc-Asp-OtBu (N-Boc-L-aspartic acid 1-tert-butyl ester, CAS 34582-32-6) is a protected amino acid derivative used as a building block in peptide synthesis. Its chemical formula is C₁₃H₂₃NO₆ and molecular weight is 289.32. The compound features a Boc-protected amino group and a tert-butyl ester-protected α-carboxyl group, with a purity of ≥97.0% (TLC). It is intended for research use only and is not for human therapeutic applications. The compound is typically stored at 2-8°C.
|
| Molecular Formula |
C13H23NO6
|
|---|---|
| Molecular Weight |
289.32
|
| Exact Mass |
289.152
|
| CAS # |
34582-32-6
|
| PubChem CID |
7010517
|
| Appearance |
White to off-white solid powder
|
| Density |
1.1±0.1 g/cm3
|
| Boiling Point |
429.0±40.0 °C at 760 mmHg
|
| Melting Point |
101-103?C
|
| Flash Point |
213.3±27.3 °C
|
| Vapour Pressure |
0.0±2.2 mmHg at 25°C
|
| Index of Refraction |
1.470
|
| LogP |
2.72
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
20
|
| Complexity |
377
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CC(C)(C)OC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C
|
| InChi Key |
RAUQRYTYJIYLTF-QMMMGPOBSA-N
|
| InChi Code |
InChI=1S/C13H23NO6/c1-12(2,3)19-10(17)8(7-9(15)16)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,15,16)/t8-/m0/s1
|
| Chemical Name |
(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-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) |
DMSO : ~100 mg/mL (~345.64 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (8.64 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
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 (8.64 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 (8.64 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 | 3.4564 mL | 17.2819 mL | 34.5638 mL | |
| 5 mM | 0.6913 mL | 3.4564 mL | 6.9128 mL | |
| 10 mM | 0.3456 mL | 1.7282 mL | 3.4564 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
