| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not possess a specific biological target; its primary function is as a chemical building block for peptide synthesis. As a phenylalanine analogue, it is used to introduce D-homophenylalanine residues into peptides. The ethyl ester protects the carboxylic acid, and the hydrochloride salt enhances solubility and stability.
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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. Its value lies in its chemical utility as a protected amino acid building block. |
| ln Vivo |
(R)-Ethyl 2-amino-4-phenylbutanoate hydrochloride 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 product, not this intermediate, would be the subject of in vivo pharmacological testing.
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| Enzyme Assay |
Non-cellular enzyme/receptor binding assays are not applicable to this compound. Its use is in organic synthesis and peptide chemistry, where it serves as a building block.
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| Cell Assay |
This compound is not used in cell-based assays as a therapeutic agent. Its applications are in synthetic chemistry. It is soluble in water. Purity is typically 95-97%.
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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 peptide-based drug candidates.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to this compound as it is not a drug. It is a small molecule (MW 243.73 g/mol) with the formula C12H18ClNO2.
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| Toxicity/Toxicokinetics |
The toxicity of this compound is not extensively documented. As with all research chemicals, standard laboratory safety precautions should be followed.
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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):1793-958.
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| Additional Infomation |
(R)-Ethyl 2-amino-4-phenylbutanoate hydrochloride is a phenylalanine analogue used as a building block in peptide synthesis. It is a useful research compound for the preparation of bioactive molecules.
|
| Molecular Formula |
C12H18CLNO2
|
|---|---|
| Molecular Weight |
243.73
|
| Exact Mass |
243.102
|
| CAS # |
90940-54-8
|
| PubChem CID |
12935373
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| Appearance |
White to off-white solid powder
|
| LogP |
3.011
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
16
|
| Complexity |
188
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
CCOC(=O)[C@@H](CCC1=CC=CC=C1)N.Cl
|
| InChi Key |
PTFKZMFFSIYCOV-RFVHGSKJSA-N
|
| InChi Code |
InChI=1S/C12H17NO2.ClH/c1-2-15-12(14)11(13)9-8-10-6-4-3-5-7-10;/h3-7,11H,2,8-9,13H2,1H3;1H/t11-;/m1./s1
|
| Chemical Name |
ethyl (2R)-2-amino-4-phenylbutanoate;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 | 4.1029 mL | 20.5145 mL | 41.0290 mL | |
| 5 mM | 0.8206 mL | 4.1029 mL | 8.2058 mL | |
| 10 mM | 0.4103 mL | 2.0515 mL | 4.1029 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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