| Size | Price | Stock | Qty |
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| 25g |
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| 100g |
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| Other Sizes |
| Targets |
As an amino acid derivative, this compound does not have a defined primary drug target in the context of therapeutic development. However, research applications have explored its potential as a peptidomimetic scaffold for inhibiting protein-protein interactions (PPI), including those involving the epidermal growth factor receptor (EGFR). Patent literature also suggests related compounds may act as neurokinin receptor antagonists, particularly targeting NK₁ and NK₃ receptors, which are involved in pain and inflammatory signaling pathways. In cancer research contexts, derivatives have been investigated for their ability to modulate resistance mechanisms to chemotherapeutic agents. For most basic research applications, this compound serves as a structural analogue for studying amino acid transport, receptor binding, and enzyme-substrate interactions rather than as a direct pharmacological agent with a specific molecular target.
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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 studies on amino acid derivatives, including this alanine analogue, have demonstrated their capacity to influence the release of anabolic hormones, modulate fuel availability for cellular activity, and enhance mental performance under stress-related conditions. These compounds are regarded as advantageous synergistic food ingredients in experimental settings. As a naphthyl-substituted alanine derivative, this compound may be used in cell-based assays to investigate amino acid transport mechanisms, metabolic pathways, and receptor interactions. Peptidomimetic analogues incorporating this scaffold have been evaluated for their ability to inhibit protein-protein interactions, such as those involving EGFR, in vitro. The compound's structural features make it suitable for studying the effects of hydrophobic and aromatic substitutions on biological activity in cellular systems. |
| ln Vivo |
In vivo studies on amino acid derivatives have shown that 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. These compounds are regarded as advantageous synergistic food ingredients in animal models. Patent literature suggests that related naphthyl-substituted amino acid compounds may have potential in cancer treatment, particularly in modulating resistance to chemotherapeutic agents like 5-fluorouracil in vivo. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied for research use rather than as a therapeutic agent.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve competitive binding studies using purified receptor proteins or enzyme preparations. The naphthyl-substituted alanine analogue can be tested for its affinity toward amino acid transporters, neurotransmitter receptors, or enzymes involved in amino acid metabolism using radioligand binding or fluorescence polarization techniques. Standard assay protocols include incubating varying concentrations of the test compound with the receptor or enzyme source, followed by separation of bound from free ligand via filtration or centrifugation. Binding affinity (Ki or IC₅₀ values) is calculated using nonlinear regression analysis. For peptidomimetic applications, surface plasmon resonance (SPR) or isothermal titration calorimetry (ITC) may be employed to measure direct binding interactions with target proteins such as EGFR.
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| Cell Assay |
Cell-based assays for this alanine derivative typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular signaling pathways. Standard protocols involve culturing cells in appropriate media (e.g., DMEM with 10% FBS) at 37°C in 5% CO₂, followed by treatment with varying concentrations of the compound (typically 0.1-100 μM) for 24-72 hours. Cell viability is assessed using MTT or CCK-8 assays, while changes in gene expression or protein levels can be evaluated by qPCR or Western blotting. For studies investigating EGFR-related protein-protein interactions, cells overexpressing EGFR or relevant signaling proteins may be used. The compound's effects on amino acid transport can be studied using radiolabeled tracer uptake assays in cultured cells. All experiments should include appropriate vehicle controls and replicate measurements.
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| Animal Protocol |
In vivo animal studies for amino acid derivatives typically involve administration via oral gavage, intraperitoneal injection, or intravenous injection in rodent models (mice or rats). Standard protocols include dosing at ranges of 10-100 mg/kg body weight, with observations over 1-14 days depending on the study objectives. For cancer research applications, xenograft models may be employed to evaluate anti-tumor efficacy, with tumor volume measurements and survival analysis as primary endpoints. Pharmacodynamic assessments may include blood sampling for biomarker analysis, tissue collection for histopathological examination, and monitoring of body weight and general health parameters. Patent literature suggests related compounds have been evaluated in cancer models to assess their ability to modulate resistance to chemotherapeutic agents. All animal studies must comply with institutional ethical guidelines.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this amino acid derivative can be inferred from structurally related compounds. As a small molecule (molecular weight 215.25 g/mol) with moderate lipophilicity (LogP ~2.34), it is expected to have reasonable oral bioavailability. The compound is likely to be absorbed via amino acid transporters and distributed throughout body compartments. Metabolism probably occurs through hepatic pathways, including oxidative deamination and conjugation reactions. The compound shows moderate aqueous solubility and can be formulated in DMSO for in vitro studies. For in vivo administration, formulations using DMSO:Tween 80:Saline (10:5:85) or similar co-solvent systems may be employed. The compound is stable at room temperature during shipping and should be stored as powder at -20°C for long-term preservation. Definitive PK parameters such as half-life, Cmax, and AUC require formal studies.
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| Toxicity/Toxicokinetics |
Toxicological data for this specific compound are limited as it is supplied for research use only and not intended for human therapeutic applications. Amino acid derivatives in general are considered to have low inherent toxicity based on their natural amino acid origins. However, as with all research chemicals, appropriate safety precautions should be observed during handling, including the use of personal protective equipment and work in well-ventilated areas. The compound may cause skin and eye irritation upon contact. Acute toxicity studies in animal models would be required to establish LD₅₀ values and no-observed-adverse-effect levels (NOAEL). For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays, with typical IC₅₀ values expected in the high micromolar to millimolar range based on related amino acid derivatives.
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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):1793-1077.
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| Additional Infomation |
1-Naphthylalanine is the parent compound for which isomer design was not performed.
This compound is an alanine analogue bearing a naphthyl substituent on the beta carbon, making it useful as a building block in organic synthesis and peptidomimetic design. It has been cited in patent literature for potential use in cancer treatment, particularly in overcoming resistance to chemotherapeutic agents such as 5-fluorouracil. Peptidomimetics incorporating this scaffold have been explored as inhibitors of protein-protein interactions, including those involving EGFR. Related compounds have also been investigated as neurokinin receptor antagonists, particularly targeting NK₁ and NK₃ receptors. The compound is not an approved drug and has not undergone clinical trials; it is strictly for research purposes only. Its mechanism of action, when studied, relates to its ability to mimic peptide structures and interfere with protein-protein or receptor-ligand interactions. |
| Molecular Formula |
C13H13NO2
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|---|---|
| Molecular Weight |
215.25
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| Exact Mass |
215.094
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| CAS # |
28095-56-9
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| PubChem CID |
99505
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
412.3±33.0 °C at 760 mmHg
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| Melting Point |
239℃
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| Flash Point |
203.2±25.4 °C
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| Vapour Pressure |
0.0±1.0 mmHg at 25°C
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| Index of Refraction |
1.660
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| LogP |
2.34
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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 |
3
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| Heavy Atom Count |
16
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| Complexity |
254
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC=C2C(=C1)C=CC=C2CC(C(=O)O)N
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| InChi Key |
OFYAYGJCPXRNBL-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)
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| Chemical Name |
2-amino-3-naphthalen-1-ylpropanoic acid
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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 | 4.6458 mL | 23.2288 mL | 46.4576 mL | |
| 5 mM | 0.9292 mL | 4.6458 mL | 9.2915 mL | |
| 10 mM | 0.4646 mL | 2.3229 mL | 4.6458 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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