| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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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 an alanine derivative, it is used to introduce 3-aminoalanine (also known as isoserine or 2,3-diaminopropionic acid) residues into peptides. The Z group protects the α-amino group and can be removed by hydrogenolysis, while the methyl ester protects the carboxylic acid and can be removed by hydrolysis. The free side-chain amino group provides a handle for further functionalization or for incorporation into peptide chains.
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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 intermediate. Amino acids and 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, this compound 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 amino acid derivative itself is never administered to animals as a test compound. It is for research use only and is not intended for human or veterinary therapeutic applications.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable to 3-Amino-N-(benzyloxycarbonyl)-L-alanine methyl ester hydrochloride 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 Z group can be selectively removed by catalytic hydrogenolysis (H2/Pd-C) to reveal the free α-amino group for coupling, and the methyl ester can be hydrolyzed to reveal the free carboxylic acid. The free side-chain amino group can be selectively protected or coupled.
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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 -20°C. It is a solid at room temperature. Purity is typically NLT 98%. The product is for research purposes only and is not intended for human or veterinary use. It is an alanine derivative.
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| Animal Protocol |
In vivo animal experiments do not involve 3-Amino-N-(benzyloxycarbonyl)-L-alanine methyl ester hydrochloride 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 amino acid derivative itself is not administered to animals as a therapeutic agent. It is for research use only.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to 3-Amino-N-(benzyloxycarbonyl)-L-alanine methyl ester hydrochloride as it is not a drug. It is a small molecule (MW 288.73 g/mol) with the formula C12H17ClN2O4. Its properties are relevant for chemical handling and storage rather than for systemic exposure studies. The Z and methyl ester protecting groups are designed for synthetic utility, not for bioavailability.
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| Toxicity/Toxicokinetics |
The toxicity of 3-Amino-N-(benzyloxycarbonyl)-L-alanine methyl ester hydrochloride 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 at -20°C. It is not intended for diagnostic, therapeutic, or other medical applications.
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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 |
This compound is an alanine derivative and a protected amino acid building block. It features a benzyloxycarbonyl (Z) group protecting the amino group and a methyl ester protecting the carboxylic acid. The free side-chain amino group at the 3-position provides a versatile handle for further functionalization or for incorporation into peptide chains. It is used as a building block in peptide synthesis. It is not a pharmaceutical and has no clinical trials or approved therapeutic status.
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| Molecular Formula |
C12H17CLN2O4
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|---|---|
| Molecular Weight |
288.73
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| Exact Mass |
288.088
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| CAS # |
35761-27-4
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| PubChem CID |
13756825
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| Appearance |
White to off-white solid powder
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| Density |
1.212g/cm3
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| Boiling Point |
423.692ºC at 760 mmHg
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| Melting Point |
157-162ºC dec.
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| Flash Point |
210.042ºC
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| Index of Refraction |
1.537
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| LogP |
2.306
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
19
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| Complexity |
277
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| Defined Atom Stereocenter Count |
1
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| SMILES |
COC(=O)[C@H](CN)NC(=O)OCC1=CC=CC=C1.Cl
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| InChi Key |
OLOFLUKZNNTGBC-PPHPATTJSA-N
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| InChi Code |
InChI=1S/C12H16N2O4.ClH/c1-17-11(15)10(7-13)14-12(16)18-8-9-5-3-2-4-6-9;/h2-6,10H,7-8,13H2,1H3,(H,14,16);1H/t10-;/m0./s1
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| Chemical Name |
methyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;hydrochloride
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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 | 3.4634 mL | 17.3172 mL | 34.6344 mL | |
| 5 mM | 0.6927 mL | 3.4634 mL | 6.9269 mL | |
| 10 mM | 0.3463 mL | 1.7317 mL | 3.4634 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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