| Size | Price | Stock | Qty |
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| 1mg |
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| 1g | |||
| Other Sizes |
| Targets |
Bezafibrate-d6, like its non-deuterated parent compound, targets the peroxisome proliferator-activated receptors (PPARs), specifically PPARα, PPARγ, and PPARδ. It acts as an agonist for these nuclear receptors. The EC50 values for human PPARα, PPARγ, and PPARδ are 50 μM, 60 μM, and 20 μM, respectively. By activating PPARs, bezafibrate regulates the expression of genes involved in lipid metabolism, leading to reduced levels of triglycerides and cholesterol.
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| ln Vitro |
Drug molecules have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as tracers for quantitation during the drug development process. Due to its potential to alter the pharmacokinetic and metabolic profiles of medications, deuteration has drawn attention[1].
In vitro, bezafibrate-d6 is expected to exhibit the same PPAR agonist activity as bezafibrate. Its activity is assessed in cell-based reporter assays where PPAR activation leads to the expression of a reporter gene. The deuterium substitution does not typically affect the in vitro potency of the compound but is intended to alter its metabolic fate. |
| ln Vivo |
In vivo, bezafibrate-d6 is used as an internal standard in pharmacokinetic studies or to study the metabolism of bezafibrate. Because the deuterium atoms are heavier, they can alter the rate of metabolism, potentially leading to a longer half-life and different metabolite profile. This allows researchers to trace the drug and its metabolites more accurately.
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| Enzyme Assay |
The activity of bezafibrate-d6 is assessed using the same methods as for bezafibrate. In cell-free or cell-based assays, the compound's ability to activate PPARs is measured, typically using a reporter gene assay. The EC50 values are calculated from dose-response curves.
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| Cell Assay |
The cellular activity of bezafibrate-d6 is evaluated in cell lines expressing PPARs. Cells are treated with the compound, and the activation of PPARs is measured using a reporter gene assay, where the receptor activation drives the expression of a luciferase or other reporter gene.
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| Animal Protocol |
In animal studies, bezafibrate-d6 is typically administered orally to rodents. Its pharmacokinetic profile is compared to that of non-deuterated bezafibrate to assess the effect of deuteration on absorption, distribution, metabolism, and excretion. Blood and tissue samples are collected, and the concentrations of the deuterated and non-deuterated compounds and their metabolites are measured by LC-MS/MS.
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| ADME/Pharmacokinetics |
The primary purpose of deuteration is to alter the pharmacokinetic properties of the drug. Bezafibrate-d6 is used as a tracer or internal standard in LC-MS/MS assays to study the metabolism and pharmacokinetics of bezafibrate. The deuterium atoms slow down the metabolism of the drug, providing a more stable internal standard for analytical methods.
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| Toxicity/Toxicokinetics |
Toxicology data for bezafibrate-d6 is derived from the parent compound, bezafibrate, which is a clinically used drug with a well-established safety profile. The deuterated form is expected to have a similar safety profile, as the deuteration does not typically introduce new toxicities.
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| References | |
| Additional Infomation |
Bezafibrate-d6 (CAS: 1219802-74-0) is a stable isotope-labeled version of the PPAR agonist bezafibrate. It is a valuable research tool for pharmacokinetic and metabolic studies, as the deuterium label allows for precise quantification of the drug and its metabolites in biological samples using mass spectrometry. This compound is essential for understanding the absorption, distribution, metabolism, and excretion of bezafibrate and for developing more effective lipid-lowering therapies.
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| Molecular Formula |
C19H14D6CLNO4
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|---|---|
| Molecular Weight |
367.856
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| Exact Mass |
367.145
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| CAS # |
1219802-74-0
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| Related CAS # |
Bezafibrate;41859-67-0
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| PubChem CID |
76973645
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| Appearance |
White to light yellow solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
572.1±45.0 °C at 760 mmHg
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| Flash Point |
299.8±28.7 °C
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| Vapour Pressure |
0.0±1.7 mmHg at 25°C
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| Index of Refraction |
1.583
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| LogP |
3.46
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
25
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| Complexity |
452
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])C(C(=O)O)(C([2H])([2H])[2H])OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl
|
| InChi Key |
IIBYAHWJQTYFKB-WFGJKAKNSA-N
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| InChi Code |
InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)/i1D3,2D3
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| Chemical Name |
2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-3,3,3-trideuterio-2-(trideuteriomethyl)propanoic acid
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| Synonyms |
Bezafibrate-d6
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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 | 2.7184 mL | 13.5921 mL | 27.1843 mL | |
| 5 mM | 0.5437 mL | 2.7184 mL | 5.4369 mL | |
| 10 mM | 0.2718 mL | 1.3592 mL | 2.7184 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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