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| Other Sizes |
| Targets |
H-Phe(4-NO2)-OMe.HCl targets organic synthesis and pharmaceutical research applications as an intermediate. It can be used for the preparation of Matijing-Su derivatives as potent anti-HBV agents. The methyl ester protects the C-terminus during synthetic transformations. It does not have a specific biological receptor target but is used as a synthetic intermediate.
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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-Phe(4-NO2)-OMe.HCl is primarily as a synthetic intermediate rather than a directly bioactive compound. Amino acid derivatives have been used as ergogenic supplements, affecting the release of anabolic hormones and fuel availability. The compound can be used in chemical synthesis to prepare more complex molecules for biological evaluation. |
| ln Vivo |
There is no specific in vivo activity data for H-Phe(4-NO2)-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-nitro-L-phenylalanine may be studied for its biological effects. The methyl ester is typically removed before biological applications. It can be used as an intermediate in the synthesis of anti-HBV agents.
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| Enzyme Assay |
In vitro protocols for H-Phe(4-NO2)-OMe.HCl are primarily synthetic in nature. 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. Melting point is approximately 232°C (dec.).
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| Cell Assay |
Cell-based protocols are not directly applicable to H-Phe(4-NO2)-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 used as a synthetic intermediate in pharmaceutical research.
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| Animal Protocol |
Animal studies with H-Phe(4-NO2)-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, such as anti-HBV agents.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of H-Phe(4-NO2)-OMe.HCl are not applicable as it is a research intermediate. The compound has a molecular weight of 260.67 g/mol, formula C₁₀H₁₂N₂O₄·HCl, and appears as a white to light yellow powder to crystal. Melting point is approximately 232°C (dec.). Storage: room temperature.
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| Toxicity/Toxicokinetics |
Toxicological data for H-Phe(4-NO2)-OMe.HCl is limited. The compound is for research use only. Standard safety precautions for handling organic compounds should be observed. The nitro group may present additional handling considerations. Acute toxicity is expected to be low. Store at room temperature. Proper personal protective equipment should be worn. No specific toxicity studies have been reported.
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| References | |
| Additional Infomation |
H-Phe(4-NO2)-OMe.HCl (CAS#: 17193-40-7) is also known as 4-Nitro-L-phenylalanine methyl ester hydrochloride and (S)-4-nitrophenylalanine methyl ester hydrochloride. Its molecular formula is C₁₀H₁₂N₂O₄·HCl and molecular weight is 260.67 g/mol. It is an intermediate in the synthesis of pharmaceutical compounds including anti-HBV agents. It has no approved therapeutic indications.
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| Molecular Formula |
C10H13CLN2O4
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|---|---|
| Molecular Weight |
260.67422
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| Exact Mass |
260.056
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| CAS # |
17193-40-7
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| PubChem CID |
11715866
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| Appearance |
Off-white to light yellow solid powder
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| Boiling Point |
360ºC at 760 mmHg
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| Melting Point |
210-214 °C
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| Flash Point |
171.5ºC
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| Vapour Pressure |
2.29E-05mmHg at 25°C
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| LogP |
2.663
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
256
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| Defined Atom Stereocenter Count |
1
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| SMILES |
Cl.O(C)C([C@H](CC1C=CC(=CC=1)[N+](=O)[O-])N)=O
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| InChi Key |
BTHMRXRBXYHLRA-FVGYRXGTSA-N
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| InChi Code |
InChI=1S/C10H12N2O4.ClH/c1-16-10(13)9(11)6-7-2-4-8(5-3-7)12(14)15;/h2-5,9H,6,11H2,1H3;1H/t9-;/m0./s1
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| Chemical Name |
methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;hydrochloride
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| Synonyms |
4-Nitro-L-phenylalanine methyl ester hydrochloride; H-Phe(4-NO2)-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 |
| 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 | 3.8363 mL | 19.1813 mL | 38.3627 mL | |
| 5 mM | 0.7673 mL | 3.8363 mL | 7.6725 mL | |
| 10 mM | 0.3836 mL | 1.9181 mL | 3.8363 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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