| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
N-(3-Phenylpropionyl)glycine-d2 is a deuterium-labeled analytical standard and does not directly target biological receptors. The non-labeled parent compound, N-(3-Phenylpropionyl)glycine (N-hydrocinnamoylglycine), is an acyl glycine metabolite. Acyl glycines are formed via the conjugation of fatty acids or organic acids with glycine, a reaction catalyzed by glycine N-acyltransferase (GLYAT) in the mitochondria. N-(3-Phenylpropionyl)glycine is a metabolite of phenylpropionic acid, which is produced from the metabolism of phenylalanine by gut bacteria and from dietary sources. It may serve as a biomarker for certain metabolic disorders. The compound is not known to have significant pharmacological activity. The deuterated version is used solely as an analytical standard and does not engage in biological 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].
As a deuterium-labeled internal standard, N-(3-Phenylpropionyl)glycine-d2 itself does not possess intrinsic in vitro biological activity. It is used exclusively for analytical quantification purposes. The non-labeled N-(3-Phenylpropionyl)glycine is an acyl glycine metabolite that can be detected in human urine and plasma. It is not known to have significant biological activity, but its concentration may be altered in certain metabolic disorders. In vitro, the formation of N-(3-Phenylpropionyl)glycine can be studied in hepatocytes or liver mitochondria to assess the activity of glycine N-acyltransferase (GLYAT). The compound is used as a biomarker rather than as an active agent. The deuterated version is used as an internal standard to accurately quantify N-(3-Phenylpropionyl)glycine in biological samples, such as urine, plasma, and cell lysates, for metabolic studies. |
| ln Vivo |
N-(3-Phenylpropionyl)glycine-d2 does not exhibit in vivo biological activity because it is an analytical standard. The non-labeled N-(3-Phenylpropionyl)glycine is an acyl glycine metabolite that is present in human urine and plasma. Its concentration may be altered in conditions such as phenylketonuria (PKU) or other disorders of amino acid metabolism. N-(3-Phenylpropionyl)glycine is also used as a urinary biomarker for the diagnosis of medium-chain acyl-CoA dehydrogenase (MCAD) deficiency and other fatty acid oxidation disorders. The compound is not used as a therapeutic agent. As an internal standard, the deuterated form is used to accurately quantify N-(3-Phenylpropionyl)glycine in biological samples for diagnostic and metabolic research.
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| Enzyme Assay |
A typical non-cellular protocol for using N-(3-Phenylpropionyl)glycine-d2 as an internal standard involves its incorporation into the sample preparation workflow for LC-MS analysis. A stock solution of the internal standard (1 mg/mL) is prepared in methanol or acetonitrile. For urine samples, 10 uL of urine is diluted with 90 uL of water in a microcentrifuge tube. Then, 10 uL of the internal standard solution (diluted to a working concentration of 1 ug/mL) is added. For plasma samples, 50 uL of plasma is mixed with 10 uL of internal standard solution. Proteins are precipitated by adding 150-200 uL of ice-cold acetonitrile containing 0.1% formic acid. The mixture is vortexed for 1 minute and centrifuged at 14,000 rpm for 10 minutes at 4degC. The supernatant (150 uL) is transferred to an autosampler vial and mixed with 150 uL of water containing 0.1% formic acid. The sample (5-10 uL) is injected onto an LC-MS/MS system operated in positive or negative ion mode with multiple reaction monitoring (MRM) for the specific transitions of N-(3-Phenylpropionyl)glycine and the deuterated internal standard. Quantification is achieved by calculating the peak area ratio of the analyte to the internal standard against a calibration curve.
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| Cell Assay |
A typical in vitro cellular protocol for using N-(3-Phenylpropionyl)glycine-d2 as an internal standard involves the quantification of acyl glycine metabolites in cultured hepatocytes. Primary human hepatocytes or HepG2 cells are seeded in 6-well plates at a density of 1×10⁶ cells/well and cultured in appropriate medium for 24 hours. After treatment with test compounds (e.g., phenylpropionic acid), the culture medium is collected. Cells are washed twice with ice-cold PBS and harvested by scraping. Cell pellets are resuspended in 200 uL of PBS, and 10 uL of the internal standard solution (1 ug/mL) is added. Cells are lysed by three freeze-thaw cycles or by sonication. Proteins are precipitated by adding 800 uL of acetonitrile containing 0.1% formic acid. After centrifugation, the supernatant is analyzed by LC-MS/MS. The concentration of N-(3-Phenylpropionyl)glycine in the culture medium and cell lysate is quantified using a calibration curve prepared with the same internal standard. The internal standard corrects for extraction efficiency and matrix effects.
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| Animal Protocol |
A typical in vivo animal protocol for using N-(3-Phenylpropionyl)glycine-d2 as an internal standard involves the quantification of the metabolite in plasma and urine. Male C57BL/6 mice (8-10 weeks old, 20-25 g) are administered phenylpropionic acid (non-labeled) via oral gavage at a dose of 50-200 mg/kg. Blood samples (50-100 uL) are collected via the tail vein into EDTA-coated tubes at various time points (0, 0.5, 1, 2, 4, 6, 8, 12, 24 hours) post-dose. Plasma is separated by centrifugation (2,000 g, 10 minutes, 4degC). Urine samples are collected using metabolic cages over a 24-hour period. For extraction, 50 uL of plasma or urine is mixed with 10 uL of N-(3-Phenylpropionyl)glycine-d2 internal standard solution (1 ug/mL) and 150 uL of acetonitrile. After centrifugation, the supernatant is analyzed by LC-MS/MS. The concentration of N-(3-Phenylpropionyl)glycine in plasma and urine is quantified using a calibration curve. The internal standard corrects for variations in sample preparation and matrix effects.
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| ADME/Pharmacokinetics |
As an analytical internal standard, N-(3-Phenylpropionyl)glycine-d2 is not characterized by typical pharmacokinetic parameters. The non-labeled N-(3-Phenylpropionyl)glycine is an endogenous metabolite. Its concentration in human urine is typically low. After administration of phenylpropionic acid, the concentration of N-(3-Phenylpropionyl)glycine in urine increases, reflecting the metabolism of phenylpropionic acid via glycine conjugation. The elimination half-life of N-(3-Phenylpropionyl)glycine is relatively short (hours) because it is rapidly excreted in the urine. The deuterated internal standard is used to accurately quantify N-(3-Phenylpropionyl)glycine in biological samples for pharmacokinetic and metabolic studies.
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| Toxicity/Toxicokinetics |
Toxicity data specific to N-(3-Phenylpropionyl)glycine-d2 are not available. The non-labeled N-(3-Phenylpropionyl)glycine is an endogenous metabolite and is generally considered non-toxic at physiological concentrations. It is used as a diagnostic biomarker, not as a therapeutic agent. Standard laboratory safety precautions should be followed when handling the compound, including the use of gloves, lab coats, and safety glasses. Avoid inhalation, ingestion, and direct skin or eye contact. The compound should be stored at -20degC in a tightly sealed container, protected from light and moisture. It is intended for research use only and should not be used in humans or animals for therapeutic or diagnostic purposes.
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| References | |
| Additional Infomation |
N-(3-Phenylpropionyl)glycine-d2 (CAS# 1219795-43-3) is a stable isotope-labeled compound with a molecular weight of 209.24. The molecular formula is C11H11D2NO3, and it is also known as N-(3-Phenylpropionyl)glycine-2,2-d2, N-hydrocinnamoylglycine-d2, and (3-phenylpropanoyl)glycine-2,2-d2. The isotopic purity is typically greater than 98%, and the chemical purity is ≥95%. N-(3-Phenylpropionyl)glycine is an acyl glycine metabolite of phenylpropionic acid, which is a metabolite of phenylalanine and certain dietary components. The deuterated version is intended for use as an internal standard for the quantification of N-(3-Phenylpropionyl)glycine by LC-MS. This product is for research use only and is not approved for clinical diagnostic applications. The compound should be stored at -20degC, protected from light and moisture.
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| Molecular Formula |
C11H11D2NO3
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| Molecular Weight |
209.24
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| Exact Mass |
209.102
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| CAS # |
1219795-43-3
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| Related CAS # |
N-(3-Phenylpropionyl)glycine;56613-60-6
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| PubChem CID |
131869265
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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 |
480.0±38.0 °C at 760 mmHg
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| Flash Point |
244.1±26.8 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.550
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| LogP |
0.71
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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 |
5
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| Heavy Atom Count |
15
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| Complexity |
222
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])(C(=O)O)NC(=O)CCC1=CC=CC=C1
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| InChi Key |
YEIQSAXUPKPPBN-MGVXTIMCSA-N
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| InChi Code |
InChI=1S/C11H13NO3/c13-10(12-8-11(14)15)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)(H,14,15)/i8D2
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| Chemical Name |
2,2-dideuterio-2-(3-phenylpropanoylamino)acetic 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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.7792 mL | 23.8960 mL | 47.7920 mL | |
| 5 mM | 0.9558 mL | 4.7792 mL | 9.5584 mL | |
| 10 mM | 0.4779 mL | 2.3896 mL | 4.7792 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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