| Size | Price | Stock | Qty |
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| 10mg |
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| Targets |
NMDA Receptor
CAS# 136056-02-5. As a stable isotope-labeled amino acid, L-Phenylalanine-3-13C is not typically used in receptor binding assays. However, the parent compound L‑phenylalanine is known to interact with several targets: it is a competitive antagonist of the glycine and glutamate binding sites on the NMDA receptor (KB 573 uM), a voltage‑dependent alpha2delta subunit Ca2+ channel antagonist (Ki 980 nM), and a substrate for amino acid transporters (e.g., LAT1, SNAT) and enzymes (e.g., phenylalanine hydroxylase, tyrosine transaminase). The ¹3C label does not alter these interactions. |
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Not applicable. L-Phenylalanine-3-13C itself is not used to measure pharmacological activity in vitro. It is employed as an analytical standard. In metabolic studies, the compound is used as a tracer to quantify phenylalanine metabolism via mass spectrometry. It is added to biological samples at known concentrations (e.g., 50-100 ng/mL) to serve as an internal standard, correcting for variations in extraction efficiency, ion suppression, and instrument drift during LC‑MS/MS analysis. |
| ln Vivo |
L-Phenylalanine-3-13C is not used in in vivo activity assays because it is an inert labeled standard. It does not have intrinsic pharmacological activity beyond that of unlabeled L‑phenylalanine. In pharmacokinetic studies, the compound is administered to animals as part of a test formulation containing unlabeled L‑phenylalanine, then used as an internal standard to quantify the unlabeled drug in plasma and tissue samples. Alternatively, the labeled form is administered as a tracer to study the absorption, distribution, metabolism, and excretion (ADME) of phenylalanine itself.
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| Enzyme Assay |
For analytical method development, L-Phenylalanine-3-13C is used as an internal standard. A stock solution of the labeled compound is prepared in methanol/water (1:1) or acetonitrile at 1 mg/mL. Calibration standards are prepared by spiking blank biological matrix (e.g., plasma, urine, cell lysate) with known concentrations of unlabeled L‑phenylalanine (0.1-1000 ng/mL) and a fixed concentration of L‑Phenylalanine-3-13C (50-100 ng/mL). Proteins are precipitated by adding 3‑5 volumes of acetonitrile or methanol containing the internal standard. After centrifugation, the supernatant is evaporated under nitrogen and reconstituted in mobile phase (0.1% formic acid in water/methanol). Analysis is performed by LC‑MS/MS in MRM mode, monitoring transitions m/z 166.17 → 120.1 for unlabeled phenylalanine and m/z 167.17 → 121.1 for the labeled standard. The peak area ratio (analyte/IS) is plotted against the nominal concentration to generate a calibration curve.
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| Cell Assay |
L-Phenylalanine-3-13C is not used in standard cellular activity assays because it is a stable isotope internal standard. However, in metabolic labeling experiments, cells (e.g., hepatocytes, neurons, or cancer cells) can be cultured in medium containing L‑Phenylalanine-3-13C (5-100 uM) for 24-72 hours. The labeled phenylalanine is incorporated into cellular proteins and metabolites. Cells are harvested, lysed, and proteins are hydrolyzed. The resulting amino acids are derivatized and analyzed by LC‑MS/MS to track the metabolic fate of phenylalanine, including its conversion to tyrosine, the synthesis of catecholamines, and incorporation into proteins. The ¹3C label allows precise quantification of metabolic flux without altering the cells' physiology.
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| Animal Protocol |
L-Phenylalanine-3-13C is primarily used in ADME studies. Animals (e.g., male Sprague‑Dawley rats, 200-300 g) are administered a test formulation containing both unlabeled L‑phenylalanine (1-30 mg/kg) and a tracer amount of L‑Phenylalanine-3-13C (0.1-1 mg/kg) via oral gavage or intravenous injection. Blood is collected at predetermined time points (0, 0.25, 0.5, 1, 2, 4, 6, 8, 12, 24 h), plasma is separated, and tissues (liver, kidney, brain, heart) are collected at termination. Samples are processed as described under "Cell‑Free Protocol," and the concentration of unlabeled phenylalanine is calculated using the labeled compound as an internal standard. Pharmacokinetic parameters (Cmax, Tmax, AUC, t½, clearance, Vd) are determined by non‑compartmental analysis. In some studies, the labeled compound is administered alone as a tracer to assess the rate of phenylalanine metabolism and elimination.
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| ADME/Pharmacokinetics |
L-Phenylalanine-3-13C (MW 166.18, C₉H11NO2 with ¹3C at C3) is a stable isotope‑labeled compound with 99 atom% ¹3C enrichment. It has the same chemical and physical properties as unlabeled L‑phenylalanine: it is a zwitterionic, water‑soluble amino acid (pKa1 ~2.2, pKa2 ~9.1). The compound is not metabolically altered by the presence of the ¹3C label, and its pharmacokinetics are identical to unlabeled L‑phenylalanine. L‑Phenylalanine is an essential amino acid that is absorbed from the gut, transported via the large neutral amino acid transporter (LAT1), and metabolized in the liver by phenylalanine hydroxylase to tyrosine. Its plasma half‑life in humans is approximately 1-2 hours, and it is excreted in urine as metabolites or as the parent compound.
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| Toxicity/Toxicokinetics |
L-Phenylalanine-3-13C is chemically stable and non‑toxic at the concentrations used as an internal standard (ng/mL levels). The unlabeled L‑phenylalanine is an endogenous essential amino acid with an established safety profile; dietary intake is generally 1-2 g/day. High doses (>10 g/day) in susceptible individuals can cause neurotoxicity, but such doses are not used in research settings with the labeled compound. L-Phenylalanine-3-13C has no known acute or chronic toxicity at tracer doses. No genotoxicity or carcinogenicity data are specifically available for the labeled compound. Standard laboratory safety precautions for handling organic solvents and chemicals should be followed.
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| References | |
| Additional Infomation |
L-Phenylalanine-3-13C (CAS 136056-02-5) is a stable isotope-labeled essential amino acid where the beta‑carbon is enriched with 99 atom% ¹3C. It is used as an internal standard for quantitative LC‑MS/MS analysis of phenylalanine in biological matrices, supporting pharmacokinetic and metabolomics studies. The compound has no approved therapeutic use and is strictly for research applications. The parent compound L‑phenylalanine is a precursor for neurotransmitters (dopamine, norepinephrine, epinephrine) and is used clinically in nutritional supplements. The labeled analog retains the same chemical and biological properties as the natural amino acid.
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| Molecular Formula |
C813CH11NO2
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|---|---|
| Molecular Weight |
166.18
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| Exact Mass |
166.082
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| CAS # |
136056-02-5
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| Related CAS # |
L-Phenylalanine;63-91-2
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| PubChem CID |
13000972
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| Appearance |
White to off-white solid powder
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| Melting Point |
270-275ºC (dec.)(lit.)
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| LogP |
1.341
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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 |
12
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| Complexity |
153
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC=C(C=C1)[13CH2][C@@H](C(=O)O)N
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| InChi Key |
COLNVLDHVKWLRT-JCNVXSMLSA-N
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| InChi Code |
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i6+1
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| Chemical Name |
(2S)-2-amino-3-phenyl(313C)propanoic 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 6.0176 mL | 30.0879 mL | 60.1757 mL | |
| 5 mM | 1.2035 mL | 6.0176 mL | 12.0351 mL | |
| 10 mM | 0.6018 mL | 3.0088 mL | 6.0176 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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