| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Retinoid X Receptors (RXRalpha, RXRbeta, RXRgamma). Bexarotene D4 is a selective agonist of the retinoid X receptor (RXR), a nuclear receptor that forms homodimers or heterodimers with other nuclear receptors such as retinoic acid receptors (RAR), PPARgamma, and VDR. Activation of RXR modulates gene transcription involved in cell differentiation, proliferation, apoptosis, and immune function. The D4-labeled version is used as an analytical internal standard and has no pharmacological activity.
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| ln Vitro |
Not applicable (internal standard, not tested in activity assays). The parent drug Bexarotene is a selective RXR agonist with EC50 values of 28 nM for RXRalpha, 28 nM for RXRbeta, and 12 nM for RXRgamma. It does not bind to RAR receptors (IC50 > 10 microM). Bexarotene induces differentiation, apoptosis, and cell cycle arrest in malignant T-cells. The D4-labeled version is used as an internal standard for LC-MS/MS quantification.
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| ln Vivo |
Not applicable (internal standard, not administered for efficacy studies). The parent drug Bexarotene (Targretin) is FDA-approved for the treatment of cutaneous T-cell lymphoma (CTCL). In animal models, bexarotene (10-100 mg/kg orally) induces tumor regression and prolongs survival. It also shows activity in models of breast cancer, lung cancer, and other malignancies. The D4-labeled version is used as an internal standard in bioanalysis.
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| Enzyme Assay |
Not applicable (internal standard, not used in receptor binding studies). For quality control of the internal standard, Bexarotene D4 is characterized by LC-MS/MS. A stock solution is prepared in methanol or acetonitrile. An LC-MS/MS system with a C18 column, mobile phase of 0.1% formic acid in water/acetonitrile gradient, and negative or positive ionization mode is used. The MRM transition for the D4-labeled compound is mass-shifted by +4 Da from unlabeled bexarotene (e.g., m/z 349 → 286 for unlabeled; m/z 353 → 290 for D4).
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| Cell Assay |
Not applicable (internal standard, not used in cell-based assays). For quality control purposes, bexarotene standard solutions are prepared at various concentrations (1-1000 ng/mL) with a fixed concentration of Bexarotene D4 as the internal standard. The solutions are injected onto an LC-MS/MS system to construct a calibration curve. The linearity (R2 > 0.99), accuracy (80-120%), and precision (CV < 15%) are validated. The internal standard corrects for matrix effects and extraction losses.
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| Animal Protocol |
Not applicable (internal standard, not administered as a test article). For pharmacokinetic studies of bexarotene, male Sprague-Dawley rats (200-250 g, n=6) are dosed orally with bexarotene (10-50 mg/kg) formulated in corn oil or 0.5% methylcellulose. Blood samples are collected at pre-dose and 0.5, 1, 2, 4, 6, 8, 12, and 24 hours post-dose. Plasma is protein-precipitated with acetonitrile containing Bexarotene D4 as the internal standard. The supernatant is analyzed by LC-MS/MS, and bexarotene concentrations are quantified using the peak area ratio. PK parameters (Cmax, Tmax, AUC, t½, clearance) are calculated.
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| ADME/Pharmacokinetics |
Bexarotene D4 is a stable isotope-labeled internal standard (SIL-IS) with a mass shift of +4 Da. The parent drug bexarotene has a molecular weight of 348.48 g/mol. Bexarotene is highly lipophilic, with an oral bioavailability of approximately 45% in humans. It is >99% protein bound, with a terminal half-life of approximately 7-9 hours. Bexarotene is metabolized primarily by CYP3A4 and undergoes extensive enterohepatic recirculation. The D4-labeled version has identical physicochemical properties.
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| Toxicity/Toxicokinetics |
Bexarotene D4 is a certified reference material for research use only, not for human consumption. The parent drug bexarotene (Targretin) has a boxed warning for serious adverse effects including severe hypertriglyceridemia (elevated triglycerides), pancreatitis, hepatotoxicity, hypothyroidism, leukopenia, and neutropenia. It also causes hypercholesterolemia, headache, fatigue, rash, and nausea. Bexarotene is teratogenic (pregnancy category X). The D4-labeled version is not administered to humans.
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| References |
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| Additional Infomation |
Bexarotene D4 (Bexarotene-d4) is a deuterium-labeled internal standard for the quantification of the RXR agonist bexarotene. Bexarotene (Targretin®) is an antineoplastic agent approved by the FDA in 1999 for the treatment of cutaneous T-cell lymphoma (CTCL) in patients who have refractory disease to other systemic therapies. The D4-labeled version is for research use only and is used in LC-MS/MS bioanalysis for pharmacokinetic studies, bioequivalence trials, and therapeutic drug monitoring.
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| Molecular Formula |
C24H28O2
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|---|---|
| Molecular Weight |
352.50257396698
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| Exact Mass |
352.234
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| CAS # |
2182068-00-2
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| Related CAS # |
Bexarotene;153559-49-0
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| PubChem CID |
71434144
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| Appearance |
White to off-white solid powder
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| LogP |
7.6
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
551
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1C(C)(C)C2C=C(C(C3C([2H])=C([2H])C(=C([2H])C=3[2H])C(O)=O)=C)C(C)=CC=2C(C)(C)C1
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| InChi Key |
NAVMQTYZDKMPEU-ULDPCNCHSA-N
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| InChi Code |
InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)/i7D,8D,9D,10D
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| Chemical Name |
2,3,5,6-tetradeuterio-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic 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 | 2.8369 mL | 14.1844 mL | 28.3688 mL | |
| 5 mM | 0.5674 mL | 2.8369 mL | 5.6738 mL | |
| 10 mM | 0.2837 mL | 1.4184 mL | 2.8369 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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