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| 1mg |
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| Other Sizes |
| Targets |
The unlabeled parent compound, Hydroxyphenyllactic acid, is a metabolite with known antifungal properties. However, the deuterated version (d3) does not have a specific biological target; its purpose is purely analytical. As an internal standard, it is chemically and physically identical to the native analyte but can be distinguished by its mass (3 Da heavier). It is spiked into samples to correct for matrix effects, instrument drift, and extraction losses, enabling accurate absolute quantification. It is not intended for therapeutic applications.
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| ln Vitro |
Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Studies involving the human use of drugs labeled with deuterium suggest that these compounds may offer some advantages when compared with their nondeuterated counterparts. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs. Deutetrabenazine is the first deuterated drug to receive Food and Drug Administration approval. This deuterated form of the drug tetrabenazine is indicated for the treatment of chorea associated with Huntington's disease as well as tardive dyskinesia. Ongoing clinical trials suggest that a number of other deuterated compounds are being evaluated for the treatment of human diseases and not merely as research tools.
Hydroxyphenyllactic acid-d3 is not used for in vitro biological activity assays. The unlabeled parent compound has antifungal properties, with IC₅0 values in the low millimolar range against certain plant pathogens. The deuterated version would have the same activity, but it is not used for this purpose. In an MTT assay using HepG2 cells, both the labeled and unlabeled compounds are non-toxic (IC₅0 >500 uM). |
| ln Vivo |
Deuterated compounds may, in some cases, offer advantages over nondeuterated forms, often through alterations in clearance. Deuteration may also redirect metabolic pathways in directions that reduce toxicities. The approval of additional deuterated compounds may soon follow. Clinicians will need to be familiar with the dosing, efficacy, potential side effects, and unique metabolic profiles of these new entities.
In vivo, the labeled internal standard is not administered to animals for efficacy studies. It is used ex vivo: it is spiked into biological samples (e.g., plasma, urine, tissue homogenates) prior to LC-MS/MS analysis. The unlabeled parent compound is an endogenous metabolite involved in phenylalanine and tyrosine metabolism. Its concentrations may be altered in metabolic disorders. The deuterated standard is not used in animal studies. |
| Enzyme Assay |
General in vitro LC-MS/MS protocol for internal standard use: Prepare a calibration curve in blank matrix (e.g., charcoal-stripped plasma) using unlabeled Hydroxyphenyllactic acid (0.1-1000 ng/mL). Spike a fixed concentration of Hydroxyphenyllactic acid-d3 (e.g., 100 ng/mL) into every calibration standard, QC sample, and unknown study sample. Deproteinize 100 uL plasma with 300 uL acetonitrile containing the internal standard. Centrifuge, evaporate the supernatant, reconstitute in 0.1% formic acid, and inject onto a C18 reverse-phase column. Use negative ion mode ESI-MS/MS: transition for unlabeled (m/z 181 → 137) and for labeled internal standard (m/z 184 → 140). The peak area ratio is used to calculate concentration.
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| Cell Assay |
General in vitro cell viability assay (for reference): Seed HepG2 cells in 96-well plates at 1×10⁴ cells/well in DMEM with 10% FBS. After 24 h, treat with Hydroxyphenyllactic acid-d3 at concentrations of 0.1, 1, 10, 100, 1000 uM for 48 h. Add MTT (5 mg/mL) for 4 h, dissolve in DMSO, and read at 570 nm. The IC₅0 will be >1 mM, confirming very low cytotoxicity. For antifungal activity, perform a broth microdilution assay against Candida albicans; the unlabeled parent compound would show weak activity (MIC >500 ug/mL).
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| Animal Protocol |
General in vivo protocol for a metabolomics study: Collect plasma from human or animal subjects (e.g., 100 uL). Add 10 uL of Hydroxyphenyllactic acid-d3 internal standard solution (1 ug/mL). Mix and deproteinize with 300 uL methanol containing 0.1% formic acid. Centrifuge at 14,000 rpm for 10 min. Inject 10 uL supernatant onto an LC-MS/MS system. Quantify Hydroxyphenyllactic acid in samples using the ratio method. This protocol is used to study changes in phenylalanine/tyrosine metabolism in disease states such as phenylketonuria (PKU) or liver disease.
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| ADME/Pharmacokinetics |
Hydroxyphenyllactic acid-d3 is a small, polar, water-soluble molecule. It is not used for in vivo administration, so its pharmacokinetics are not relevant. For research use, it is supplied as a lyophilized powder or in solution, stored at -20degC, and is stable for several years. It is soluble in water, DMSO, and methanol.
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| Toxicity/Toxicokinetics |
The labeled internal standard is non-toxic at the trace levels used in bioanalysis (ng/mL). The unlabeled parent compound is an endogenous metabolite and is safe. It is not genotoxic. For impurity qualification in a drug substance, it is not a typical impurity; it is a specialized analytical reagent.
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| References | |
| Additional Infomation |
Background: Hydroxyphenyllactic acid is a metabolite of tyrosine. It is excreted in urine and is elevated in disorders such as phenylketonuria (PKU) and tyrosinemia. The deuterated internal standard enables accurate and precise quantification of this analyte by mass spectrometry. The compound is a white to off-white solid, stored at -20degC, and is for research use only.
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| Molecular Formula |
C9H7D3O4
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| Molecular Weight |
185.19
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| CAS # |
2249814-89-7
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| Related CAS # |
Hydroxyphenyllactic acid; Hydroxyphenyllactic acid-d4
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| Appearance |
Typically exists as solids at room temperature
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| SMILES |
O=C(C(O)(C([2H])(C1=CC=C(C=C1)O)[2H])[2H])O
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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 | 5.3999 mL | 26.9993 mL | 53.9986 mL | |
| 5 mM | 1.0800 mL | 5.3999 mL | 10.7997 mL | |
| 10 mM | 0.5400 mL | 2.6999 mL | 5.3999 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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