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| 5g |
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| Other Sizes |
| Targets |
H-D-Phe(4-Cl)-OMe.HCl targets peptide synthesis and organic synthesis applications as a phenylalanine analogue. The methyl ester group protects the carboxylate during synthetic transformations, while the hydrochloride salt enhances solubility. It does not have a specific biological receptor target. It is used as a synthetic intermediate in the preparation of more complex compounds and D-configured peptides.
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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].
In vitro activity of H-D-Phe(4-Cl)-OMe.HCl is primarily as a synthetic intermediate rather than a directly bioactive compound. Amino acid derivatives have been commercially used as ergogenic supplements, affecting the release of anabolic hormones and fuel availability. The compound can be used in cell culture after deprotection to study amino acid metabolism, but its primary utility is in chemical synthesis. |
| ln Vivo |
There is no specific in vivo activity data for H-D-Phe(4-Cl)-OMe.HCl as it is a protected amino acid derivative used in research. The compound is not administered in vivo in its intact form. After deprotection, the resulting 4-chloro-D-phenylalanine may be studied for its effects on serotonin biosynthesis and other metabolic pathways. The methyl ester is typically removed before biological applications.
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| Enzyme Assay |
In vitro enzyme/receptor binding protocols for H-D-Phe(4-Cl)-OMe.HCl are limited as it is a protected amino acid derivative. For synthetic applications, the methyl ester can be hydrolyzed under basic conditions to yield the free acid. The compound can be used as an intermediate in peptide synthesis where the methyl ester protects the C-terminus during coupling reactions. Purity is ≥98% by HPLC.
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| Cell Assay |
Cell-based protocols are not directly applicable to H-D-Phe(4-Cl)-OMe.HCl as it is a protected amino acid derivative. For cellular studies, the methyl ester would need to be hydrolyzed first. The hydrochloride salt form provides improved aqueous solubility. If used in cell culture after deprotection, standard protocols for amino acid derivatives apply. The compound is soluble in DMSO (~100 mg/mL).
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| Animal Protocol |
Animal studies with H-D-Phe(4-Cl)-OMe.HCl are not conducted directly. The compound may be used as a synthetic intermediate to prepare compounds that are subsequently evaluated in animal models. The methyl ester would typically be removed before any biological testing. Standard synthetic chemistry protocols are used to convert this intermediate into target molecules for biological evaluation.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of H-D-Phe(4-Cl)-OMe.HCl are not applicable as it is a research intermediate. The compound has a molecular weight of 250.12 g/mol, formula C₁₀H₁₃Cl₂NO₂, and appears as a white to off-white powder. Melting point is 195-197°C. LogP is 2.885. Solubility in DMSO is ~100 mg/mL. Storage: powder at -20°C for 3 years.
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| Toxicity/Toxicokinetics |
Toxicological data for H-D-Phe(4-Cl)-OMe.HCl is limited. The compound is for research use only. Standard safety precautions for handling amino acid derivatives should be observed. Acute toxicity is expected to be low. Store as powder at -20°C. Proper personal protective equipment should be worn. No specific toxicity studies have been reported. It is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
H-D-Phe(4-Cl)-OMe.HCl (CAS#: 33965-47-8) is also known as methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate;hydrochloride and 4-chloro-D-phenylalanine methyl ester hydrochloride. Its molecular formula is C₁₀H₁₃Cl₂NO₂ and molecular weight is 250.12 g/mol. It is a phenylalanine derivative used as a synthetic intermediate. It has no approved therapeutic indications.
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| Molecular Formula |
C10H13CL2NO2
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|---|---|
| Molecular Weight |
250.1217
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| Exact Mass |
249.032
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| CAS # |
33965-47-8
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| PubChem CID |
24720899
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| Appearance |
White to off-white powder
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| Boiling Point |
330ºC at 760 mmHg
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| Melting Point |
195-197°C
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| Flash Point |
153.4ºC
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| LogP |
2.885
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
15
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| Complexity |
191
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])[C@]([H])(C(=O)OC([H])([H])[H])N([H])[H].Cl[H]
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| InChi Key |
GCBCWTWQAFLKJG-SBSPUUFOSA-N
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| InChi Code |
InChI=1S/C10H12ClNO2.ClH/c1-14-10(13)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3;1H/t9-;/m1./s1
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| Chemical Name |
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate;hydrochloride
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| Synonyms |
H-D-Phe(4-Cl)OMe.HCl
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ~100 mg/mL (~399.81 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.00 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (10.00 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (10.00 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.9981 mL | 19.9904 mL | 39.9808 mL | |
| 5 mM | 0.7996 mL | 3.9981 mL | 7.9962 mL | |
| 10 mM | 0.3998 mL | 1.9990 mL | 3.9981 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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