| Size | Price | Stock | Qty |
|---|---|---|---|
| 5g |
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| Other Sizes |
| Targets |
As an amino acid derivative, (S)-2-Amino-3,3-diphenylpropanoic acid does not have a defined primary drug target in the context of therapeutic development. However, as a diphenyl-substituted phenylalanine analogue, it may be used in research to study peptide conformation, protein-protein interactions, and enzyme-substrate recognition. The diphenyl substitution introduces significant steric bulk that can induce conformational constraints in peptide sequences, affecting their biological activity and receptor binding affinity. The compound can serve as a building block for synthesizing peptides with modified pharmacological properties and as a tool for studying structure-activity relationships. The bulky diphenyl group can also influence peptide stability against proteolysis.
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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 diphenylalanine analogue, have demonstrated their capacity to influence the release of anabolic hormones, modulate fuel availability for cellular activity, enhance mental performance under stress-related conditions, and prevent exercise-induced muscle damage. As a diphenylalanine derivative, this compound may be used in cell-based assays to investigate amino acid transport mechanisms, peptide stability, and the effects of steric hindrance on peptide biological activity. The compound can also be utilized in studies examining the role of conformational constraints in peptide-receptor interactions and enzyme recognition. The diphenyl substitution may affect cellular uptake and peptide bioavailability. |
| 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. As a diphenylalanine derivative, this compound may be administered in animal studies to evaluate the effects of sterically hindered amino acids on biological systems. However, specific in vivo pharmacological data for this exact compound remains limited, as it is primarily supplied as a research chemical for peptide synthesis rather than as a therapeutic agent. The bulky diphenyl group may affect the compound's absorption, distribution, metabolism, and excretion.
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| Enzyme Assay |
Non-cell-based enzyme or receptor binding assays for this compound typically involve studies with purified enzymes or receptors to evaluate the effects of diphenyl substitution on binding affinity and enzymatic activity. Standard protocols include radioligand binding assays, enzymatic activity measurements, and surface plasmon resonance (SPR) studies. The compound can be tested for its ability to compete with natural ligands for receptor binding or to act as a substrate or inhibitor for enzymes involved in amino acid metabolism. For peptide synthesis applications, the compound is evaluated in coupling reactions using standard peptide synthesis chemistry to assess reactivity and coupling efficiency. The sterically hindered nature of the compound may affect coupling reaction kinetics.
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| Cell Assay |
Cell-based assays for this diphenylalanine derivative typically utilize mammalian cell lines to evaluate compound uptake, cytotoxicity, and effects on cellular signaling. Standard protocols involve culturing cells in appropriate media 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. The compound's effects on receptor signaling can be studied using reporter gene assays or calcium imaging. For peptide synthesis applications, the compound is used as a building block in solid-phase peptide synthesis protocols for introducing diphenylalanine residues into peptide sequences. The sterically hindered nature may require modified coupling conditions.
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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 studies evaluating the effects of diphenylalanine-containing peptides, animals may be administered peptide formulations and monitored for therapeutic efficacy or pharmacokinetics. Pharmacodynamic assessments may include blood sampling for peptide analysis, tissue collection for histopathological examination, and monitoring of body weight and general health parameters. All animal studies must comply with institutional ethical guidelines and be conducted in accordance with applicable regulations.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties for this diphenylalanine derivative can be inferred from structurally related compounds. As a medium-sized molecule (molecular weight 241.29 g/mol) with high lipophilicity due to the diphenyl group, it is expected to have moderate oral bioavailability. The compound shows moderate solubility in organic solvents such as DMSO and limited aqueous solubility. For in vivo administration, formulations using suitable co-solvent systems may be employed. The compound 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. The diphenyl group may significantly influence the compound's distribution and metabolism.
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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. For in vitro cytotoxicity assessment, the compound can be tested in mammalian cell lines using standard MTT or LDH release assays.
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| References | |
| Additional Infomation |
(S)-2-Amino-3,3-diphenylpropanoic acid is a diphenyl-substituted phenylalanine analogue featuring two phenyl substituents on the β-carbon. The diphenyl substitution introduces significant steric bulk and conformational constraints into peptide sequences, making it useful for studying structure-activity relationships and for synthesizing peptides with modified pharmacological properties. This compound is used as a building block in peptide synthesis for introducing diphenylalanine residues into peptide sequences for drug discovery and biomedical research applications. It is not an approved drug and has not undergone clinical trials; it is strictly for research purposes.
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| Molecular Formula |
C15H15NO2
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|---|---|
| Molecular Weight |
241.29
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| Exact Mass |
241.11
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| CAS # |
149597-92-2
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| PubChem CID |
162977
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
389.2±30.0 °C at 760 mmHg
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| Melting Point |
210-213ºC
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| Flash Point |
189.2±24.6 °C
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| Vapour Pressure |
0.0±0.9 mmHg at 25°C
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| Index of Refraction |
1.611
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| LogP |
2.86
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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 |
18
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| Complexity |
250
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC=C(C=C1)C(C2=CC=CC=C2)[C@@H](C(=O)O)N
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| InChi Key |
PECGVEGMRUZOML-AWEZNQCLSA-N
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| InChi Code |
InChI=1S/C15H15NO2/c16-14(15(17)18)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H,16H2,(H,17,18)/t14-/m0/s1
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| Chemical Name |
(2S)-2-amino-3,3-diphenylpropanoic 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 | 4.1444 mL | 20.7220 mL | 41.4439 mL | |
| 5 mM | 0.8289 mL | 4.1444 mL | 8.2888 mL | |
| 10 mM | 0.4144 mL | 2.0722 mL | 4.1444 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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