| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Targets (as internal standard): Isotope-Labeled Compounds / Endogenous Metabolite. The unlabeled compound, Phenylacetylglycine, is a gut microbial metabolite that can activate the beta-2 adrenergic receptor (beta2AR). It protects against cardiac injury caused by ischemia/reperfusion.
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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].
No direct in vitro biological activity is reported for the labeled standard. The unlabeled Phenylacetylglycine activates beta2AR, which plays a role in mediating vasodilation and cardioprotection. The parent compound is involved in nitrogen metabolism and is a byproduct of phenylalanine catabolism in the gut microbiome. |
| ln Vivo |
In vivo, the unlabeled Phenylacetylglycine protects against cardiac injury caused by ischemia/reperfusion, likely via beta2AR activation. No in vivo studies are performed with the deuterated standard itself; it is used exclusively as an internal standard for the quantification of the metabolite in clinical or preclinical samples.
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| Enzyme Assay |
For cell-free assay: plasma, urine, or tissue homogenates are spiked with 2-(2-Phenylacetamido)acetic acid-d5 internal standard. After protein precipitation with acetonitrile and centrifugation, the supernatant is injected into an LC-MS/MS system. Quantitation is achieved by comparing the analyte peak area to the internal standard peak area.
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| Cell Assay |
No cell-based assays are performed with the deuterated standard. The unlabeled Phenylacetylglycine may be tested in cardiomyocyte cell lines (e.g., H9c2) to assess its protective effects against hypoxia/reoxygenation injury, measuring lactate dehydrogenase (LDH) release, cell viability, and beta2AR signaling via cAMP assays.
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| Animal Protocol |
No animal studies are conducted with the labeled internal standard. For PK and pharmacodynamic studies of the unlabeled metabolite, animals are dosed with Phenylacetylglycine, and the internal standard is used in LC-MS/MS bioanalysis of plasma or tissue samples to quantify the analyte. Typical models include ischemia/reperfusion in rats.
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| ADME/Pharmacokinetics |
PK properties of Phenylacetylglycine: after oral or IV administration, the compound is rapidly cleared from plasma, with a short half-life (approx. 1-2 hours). It is primarily excreted unchanged in the urine. The deuterated standard does not exhibit distinct PK properties and co-elutes with the unlabeled analyte in HPLC, ensuring accurate quantitation.
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| Toxicity/Toxicokinetics |
No toxicity data are available for this specific compound. Phenylacetylglycine is an endogenous metabolite and is generally considered safe at normal physiological levels. The deuterated standard is for research use only, not for human therapeutic applications, and is considered non-hazardous for transport under normal laboratory conditions.
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| References |
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| Additional Infomation |
2-(2-Phenylacetamido)acetic acid-d5 is a research standard, not an approved drug. It is used in pharmaceutical quality control, metabolomics, and biomarker research. The unlabeled Phenylacetylglycine is studied as a potential cardioprotective agent and as a biomarker for liver function and gut microbiome activity. The labeled compound is essential for stable isotope dilution assays.
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| Molecular Formula |
C10H11NO3
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|---|---|
| Molecular Weight |
198.230051279068
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| Exact Mass |
198.105
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| CAS # |
1189920-31-7
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| Related CAS # |
Phenylacetylglycine;500-98-1
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| PubChem CID |
46782722
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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 |
476.5±38.0 °C at 760 mmHg
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| Flash Point |
242.0±26.8 °C
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| Vapour Pressure |
0.0±1.3 mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
0.18
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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 |
14
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| Complexity |
209
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)NCC(=O)O)[2H])[2H]
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| InChi Key |
UTYVDVLMYQPLQB-RALIUCGRSA-N
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| InChi Code |
InChI=1S/C10H11NO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(H,13,14)/i1D,2D,3D,4D,5D
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| Chemical Name |
2-[[2-(2,3,4,5,6-pentadeuteriophenyl)acetyl]amino]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 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 | 5.0446 mL | 25.2232 mL | 50.4465 mL | |
| 5 mM | 1.0089 mL | 5.0446 mL | 10.0893 mL | |
| 10 mM | 0.5045 mL | 2.5223 mL | 5.0446 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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