| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a specific biological target; it functions as a chemical building block for organic synthesis. As an alanine derivative, it is used to introduce alanine residues into target molecules. The Z group protects the amino group, and the phenacyl ester serves as a protecting group for the carboxylic acid that can be selectively removed under reductive 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].
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 acid derivatives have been commercially used as ergogenic supplements affecting anabolic hormone release. |
| ln Vivo |
This compound is not administered in vivo as a therapeutic agent. It is a research chemical utilized as a building block in organic synthesis. The final deprotected product, not this intermediate, would be the subject of in vivo pharmacological testing for therapeutic efficacy and safety.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable as this compound is not biologically active. Its use is in organic synthesis. A typical protocol involves its use as a starting material in peptide coupling reactions or as a protected amino acid for the synthesis of more complex molecules, where the Z group can be removed by hydrogenolysis and the phenacyl ester by reductive cleavage.
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| Cell Assay |
This compound is not used in cell-based assays. Its applications are in synthetic chemistry. It should be stored as a powder at -20°C or below. Information concerning product stability, particularly in solution, has rarely been reported. It is typically stored as a solid and is stable under recommended storage conditions.
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| Animal Protocol |
In vivo animal experiments do not involve this compound as a test article. It is a chemical intermediate used in the synthesis of drug candidates. If used to synthesize a therapeutic compound, that final product would be subjected to animal testing. The protected alanine derivative itself is not administered to animals.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this is not a drug. It is a small molecule (MW 341.36 g/mol) with the formula C19H19NO5. Its properties are relevant for chemical handling and storage. The phenacyl ester is a photolabile protecting group that can also be removed by reductive methods.
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| Toxicity/Toxicokinetics |
The toxicity of this compound is not extensively documented. As a research chemical, it should be handled with standard laboratory precautions. It is not intended for human or veterinary use. The product is for research purposes only and should be handled in a well-ventilated area with appropriate personal protective equipment.
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| References | |
| Additional Infomation |
2-Oxo-2-phenylethyl ((benzyloxy)carbonyl)-L-alaninate is a versatile intermediate in organic synthesis, combining two orthogonal protecting groups (Z for amine, phenacyl for carboxylate) that allow for selective deprotection strategies. It is not a pharmaceutical and has no clinical trials or approved therapeutic status.
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| Molecular Formula |
C19H19NO5
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|---|---|
| Molecular Weight |
341.36
|
| Exact Mass |
341.126
|
| CAS # |
6530-41-2
|
| PubChem CID |
12373780
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.118
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
9
|
| Heavy Atom Count |
25
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| Complexity |
453
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| Defined Atom Stereocenter Count |
1
|
| SMILES |
C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
|
| InChi Key |
MUNLGCDPQMBTPW-AWEZNQCLSA-N
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| InChi Code |
InChI=1S/C19H19NO5/c1-14(20-19(23)25-12-15-8-4-2-5-9-15)18(22)24-13-17(21)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,20,23)/t14-/m0/s1
|
| Chemical Name |
phenacyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
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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: 25 mg/mL (73.24 mM)
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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 | 2.9295 mL | 14.6473 mL | 29.2946 mL | |
| 5 mM | 0.5859 mL | 2.9295 mL | 5.8589 mL | |
| 10 mM | 0.2929 mL | 1.4647 mL | 2.9295 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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