| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
This compound does not have a specific biological target; it is a chemical building block for peptide synthesis. As a phenylalanine analogue, it is used to introduce chlorinated D-phenylalanine residues into peptides. The Boc group protects the amino group.
|
|---|---|
| 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 have direct in vitro biological activity. Its value is chemical, serving as a protected amino acid intermediate. Amino acids and their derivatives have been commercially used as ergogenic supplements. |
| ln Vivo |
This compound is not used in in vivo studies as a therapeutic agent. It is a research chemical used as a building block in peptide synthesis. The final peptide product, not this intermediate, would be the subject of in vivo testing.
|
| 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 using it as a building block in peptide synthesis, where the Boc group is removed under acidic conditions to allow for chain elongation.
|
| Cell Assay |
This compound is not used in cell-based assays. Its applications are in synthetic chemistry. Its molecular weight is 299.75 g/mol, and its molecular formula is C₁₄H₁₈ClNO₄. It is a phenylalanine analogue and a valuable building block for peptides containing D-Phe residues.
|
| Animal Protocol |
In vivo animal experiments do not involve this compound as a test article. It is a chemical intermediate. If used to synthesize a drug candidate, that candidate would be subjected to animal testing. The Boc-protected amino acid itself is not administered.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable as this is not a drug. It is a small molecule (MW 299.75 g/mol) with the formula C₁₄H₁₈ClNO₄. Its properties are relevant for chemical handling and storage. It is a phenylalanine analogue.
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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 specific target is Amino Acid Derivatives.
|
| 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):1793-893.
|
| Additional Infomation |
Boc-D-Phe(4-Cl)-OH is a protected phenylalanine derivative used as a building block in peptide synthesis. The Boc group protects the amino group, allowing for selective coupling. The chlorine atom and D-configuration make it useful for studying structure-activity relationships. It is not a pharmaceutical.
|
| Molecular Formula |
C14H18CLNO4
|
|---|---|
| Molecular Weight |
299.75
|
| Exact Mass |
299.092
|
| CAS # |
57292-44-1
|
| PubChem CID |
7018791
|
| Appearance |
White to off-white solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
452.5±40.0 °C at 760 mmHg
|
| Melting Point |
108ºC
|
| Flash Point |
227.5±27.3 °C
|
| Vapour Pressure |
0.0±1.2 mmHg at 25°C
|
| Index of Refraction |
1.539
|
| LogP |
3.56
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
20
|
| Complexity |
346
|
| Defined Atom Stereocenter Count |
1
|
| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])[C@]([H])(C(=O)O[H])N([H])C(=O)OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
|
| InChi Key |
BETBOAZCLSJOBQ-LLVKDONJSA-N
|
| InChi Code |
InChI=1S/C14H18ClNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-4-6-10(15)7-5-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
|
| Chemical Name |
(2R)-3-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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: ~200 mg/mL (~667.2 mM; with ultrasonication)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (16.68 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (16.68 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 5 mg/mL (16.68 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.3361 mL | 16.6806 mL | 33.3611 mL | |
| 5 mM | 0.6672 mL | 3.3361 mL | 6.6722 mL | |
| 10 mM | 0.3336 mL | 1.6681 mL | 3.3361 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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