| Size | Price | |
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| Other Sizes |
| Targets |
This compound does not have a specific biological target; it functions as a chemical building block for peptide synthesis. As a leucine derivative, it is used to introduce leucine residues into peptides with the carboxylic acid protected as a benzyl ester. The p-toluenesulfonate (tosylate) salt form enhances crystallinity and stability, making it easier to handle and purify compared to the free base or other salt forms. The benzyl ester can be selectively removed by hydrogenolysis (H2/Pd-C) to reveal the free carboxylic acid for further peptide coupling or other modifications.
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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].
This compound is not a biological agent and does not exhibit direct in vitro biological activity in a pharmacological sense. Its value lies in its chemical utility as a protected amino acid ester. Amino acid derivatives have been commercially used as ergogenic supplements affecting the release of anabolic hormones, the availability of fuel for activity, and the prevention of muscular damage brought on by exertion. However, L-Leucine benzyl ester p-toluenesulfonate itself is primarily used as a research tool in peptide synthesis rather than as a directly active pharmacological agent. |
| ln Vivo |
This compound is not administered in vivo as a therapeutic agent. It is a research chemical utilized as a building block in peptide synthesis. The final deprotected peptide product, not this protected intermediate, would be the subject of in vivo pharmacological testing for therapeutic efficacy and safety. The protected leucine ester itself is never administered to animals as a test compound. It is recognized for its role in peptide synthesis.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable to L-Leucine benzyl ester p-toluenesulfonate as it is not biologically active. Its use is in organic synthesis and peptide chemistry. A typical protocol involves its use as a building block in peptide synthesis, where the benzyl ester can be selectively removed by hydrogenolysis (H2/Pd-C) to reveal the free carboxylic acid for coupling with the next amino acid using standard coupling reagents. The tosylate salt form provides enhanced crystallinity and stability.
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| Cell Assay |
This compound is not used in cell-based assays as a therapeutic agent. Its role is as a research chemical and building block for peptide synthesis. It should be stored at room temperature in a cool and dark place. It is a solid at 20°C. Purity is typically ≥98.0% by HPLC and neutralization titration. The melting point is 156.0 to 160.0°C. The product is for research purposes only and is not intended for human or veterinary use.
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| Animal Protocol |
In vivo animal experiments do not involve L-Leucine benzyl ester p-toluenesulfonate as a test article. It is a chemical intermediate used in the synthesis of peptide-based drug candidates. If used to synthesize a therapeutic peptide, that final product would be subjected to animal testing. The protected leucine ester itself is not administered to animals as a therapeutic agent. It is recognized for its role in peptide synthesis.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to L-Leucine benzyl ester p-toluenesulfonate as it is not a drug. It is a small molecule (MW 393.50 g/mol) with the formula C13H19NO2·C7H8O3S. Its properties, including melting point and appearance as a white powder, are relevant for chemical handling and storage rather than for systemic exposure studies. The benzyl ester and tosylate salt are designed for synthetic utility, not for bioavailability.
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| Toxicity/Toxicokinetics |
The toxicity of L-Leucine benzyl ester p-toluenesulfonate is not extensively documented, as it is a research chemical not intended for human or veterinary use. It should be handled with standard laboratory precautions, including the use of appropriate personal protective equipment and working in a well-ventilated area. The compound is a solid at room temperature and should be stored in a cool, dark place. It is not intended for diagnostic, therapeutic, or other medical applications.
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| References | |
| Additional Infomation |
This compound is an esterified derivative of the essential amino acid L-leucine, paired with a toluenesulfonate moiety. It is recognized for its role in peptide synthesis. The benzyl ester protects the carboxylic acid and can be removed by hydrogenolysis. The p-toluenesulfonate (tosylate) salt form enhances crystallinity and stability, making it easier to handle and purify compared to the free base or other salt forms. It is not a pharmaceutical and has no clinical trials or approved therapeutic status.
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| Molecular Formula |
C20H27NO5S
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|---|---|
| Molecular Weight |
393.50
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| Exact Mass |
393.16
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| CAS # |
1738-77-8
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| PubChem CID |
6451312
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| Appearance |
White to off-white solid powder
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| Boiling Point |
302.5ºC at 760 mmHg
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| Melting Point |
153-160 °C
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| Flash Point |
157.6ºC
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| Vapour Pressure |
0.000987mmHg at 25°C
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| Index of Refraction |
5 ° (C=2, DMF)
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| LogP |
5.126
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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 |
7
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| Heavy Atom Count |
27
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| Complexity |
416
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N
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| InChi Key |
QTQGHKVYLQBJLO-YDALLXLXSA-N
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| InChi Code |
InChI=1S/C13H19NO2.C7H8O3S/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10,12H,8-9,14H2,1-2H3;2-5H,1H3,(H,8,9,10)/t12-;/m0./s1
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| Chemical Name |
benzyl (2S)-2-amino-4-methylpentanoate;4-methylbenzenesulfonic 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| 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 | 2.5413 mL | 12.7065 mL | 25.4130 mL | |
| 5 mM | 0.5083 mL | 2.5413 mL | 5.0826 mL | |
| 10 mM | 0.2541 mL | 1.2706 mL | 2.5413 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
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