| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| Other Sizes |
| Targets |
Butylphthalide-d3 targets the same biological pathways as its parent compound, Butylphthalide. Butylphthalide is an anti-cerebral-ischemia agent that has shown efficacy in animal models of stroke, though its precise molecular target is not fully defined [10L7-L9]. As a deuterated internal standard, the labeled form is used to accurately measure the concentration of the parent drug in biological samples by mass spectrometry, rather than for direct pharmacological targeting.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantification throughout the drug development process. Due to its potential to alter the pharmacokinetic and metabolic characteristics of medications, deuteration has drawn attention[1].
The deuterated version is not typically used to assess biological activity in vitro, as it is an analytical standard. The parent compound, Butylphthalide, has demonstrated neuroprotective effects in various in vitro models of cerebral ischemia, such as protecting neurons from oxygen-glucose deprivation and reducing oxidative stress-induced cell death. However, Butylphthalide-d3 itself is not used in such functional assays. |
| ln Vivo |
Butylphthalide-d3 is not used to study biological efficacy in vivo, as it is a stable isotope-labeled internal standard. The parent compound Butylphthalide has been extensively studied in animal models of stroke, showing efficacy in reducing infarct volume, improving neurological deficits, and promoting cerebral blood flow. Butylphthalide-d3 is used as a tracer to investigate the pharmacokinetics and tissue distribution of Butylphthalide in these models.
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| Enzyme Assay |
As an analytical standard, Butylphthalide-d3 is used in non-cellular mass spectrometry assays. The protocol involves spiking a known amount of Butylphthalide-d3 into a biological sample (e.g., plasma, urine, or tissue homogenate). After sample preparation (such as liquid-liquid extraction or solid-phase extraction), the extract is analyzed by LC-MS/MS. The compound is then used to correct for analyte recovery, matrix effects, and instrument variability by comparing the signal of Butylphthalide to the signal of Butylphthalide-d3.
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| Cell Assay |
Butylphthalide-d3 is not used for in vitro cellular assays as a functional agent. For analytical purposes, cell culture media or cell lysates from experiments with unlabeled Butylphthalide can be spiked with Butylphthalide-d3. This mixture is then processed and analyzed by LC-MS/MS to quantify the concentration of Butylphthalide present. This allows researchers to study the uptake, metabolism, and stability of the drug in cellular environments.
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| Animal Protocol |
In pharmacokinetic studies, Butylphthalide-d3 serves as the internal standard to quantify the concentration of the parent drug Butylphthalide. For this, an animal model (e.g., rat or mouse) is administered Butylphthalide via intravenous or oral routes. Blood samples are collected at various time points, and plasma is separated. A known amount of Butylphthalide-d3 is then added to each plasma sample as an internal standard before extraction and LC-MS/MS analysis. This method allows for accurate calculation of key PK parameters.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for Butylphthalide-d3 itself are not reported, as it is used as an internal standard for the quantification of non-labeled Butylphthalide. The parent compound Butylphthalide has a good oral bioavailability and a favorable pharmacokinetic profile, which includes a short half-life in plasma. The deuterated form is stable and does not undergo significant deuterium-hydrogen exchange under physiological conditions, allowing for accurate MS quantification.
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| Toxicity/Toxicokinetics |
Toxicological data for Butylphthalide-d3 are not extensively reported, as it is an analytical standard used at very low concentrations. The parent compound Butylphthalide is generally considered safe, though high doses may cause gastrointestinal or neurological side effects. As a stable isotope-labeled compound, Butylphthalide-d3 does not pose additional toxicological risks beyond those of the non-labeled compound. Standard laboratory chemical safety precautions apply.
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| References |
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| Additional Infomation |
Butylphthalide-d3 (3-n-Butylphthalide-d3; 3-Butylphthalide-d3) has a molecular formula of C12H11D3O2 and a molecular weight of 193.26 g/mol [10L9-L10]. The unlabeled CAS number is 6066-49-5 [10L12]. It appears as a colorless to light yellow oil [10L10-L11]. The compound is typically stored at room temperature in a tightly closed container, protected from light [10L13-L14].
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| Molecular Formula |
C12H11D3O2
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|---|---|
| Molecular Weight |
193.26
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| Related CAS # |
Butylphthalide;6066-49-5
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| Appearance |
Typically exists as solid at room temperature
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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 | 5.1744 mL | 25.8719 mL | 51.7438 mL | |
| 5 mM | 1.0349 mL | 5.1744 mL | 10.3488 mL | |
| 10 mM | 0.5174 mL | 2.5872 mL | 5.1744 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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