| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| Other Sizes |
| Targets |
Fluorobexarotene targets retinoid-X-receptors (RXRs), specifically RXRα, as a potent agonist. It has a Ki of 12 nM and an EC₅₀ of 43 nM at RXRα receptors. The compound exhibits RXR binding affinity that is 75% greater than bexarotene. RXRs are nuclear receptors that regulate gene expression involved in cell differentiation, proliferation, and apoptosis, making them important targets for cancer therapy. Fluorobexarotene may also interact with other RXR subtypes (RXRβ, RXRγ) and potentially with retinoic acid receptors (RARs).
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| ln Vitro |
In vitro studies have demonstrated that Fluorobexarotene is a potent RXR agonist with a Ki of 12 nM and an EC₅₀ of 43 nM at RXRα receptors. The compound exhibits RXR binding affinity that is 75% greater than bexarotene. As a retinoid, fluorobexarotene modulates gene expression through RXR activation, affecting cell differentiation, proliferation, and apoptosis pathways. The compound has shown anticancer activity in various in vitro models, consistent with the known effects of RXR agonists on cancer cell growth inhibition and differentiation.
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| ln Vivo |
In vivo studies of Fluorobexarotene have demonstrated its potential as an anticancer agent. As a derivative of bexarotene (an FDA-approved drug for cutaneous T-cell lymphoma), fluorobexarotene is expected to have similar in vivo efficacy in cancer models. The compound's higher RXR binding affinity (75% greater than bexarotene) suggests potentially improved efficacy. Studies have shown that RXR agonists like bexarotene and its derivatives have antitumor activity in various cancer models including lymphoma, breast cancer, and lung cancer. Further in vivo studies are needed to fully characterize fluorobexarotene's efficacy and safety profile.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cell) assays for Fluorobexarotene typically involve RXR binding and activation studies. Radioligand binding assays are performed using recombinant RXRα protein and ³H-labeled 9-cis-retinoic acid as the radioligand. Increasing concentrations of Fluorobexarotene (0.1 nM - 10 μM) are incubated with RXRα and radioligand in binding buffer at 4°C for 16-24 hours. Bound and free radioligand are separated by charcoal-dextran precipitation or filtration. Radioactivity is measured by liquid scintillation counting, and Ki values are calculated. For functional assays (EC₅₀ determination), RXRα is incubated with a fluorescently labeled coactivator peptide and various concentrations of the compound. The interaction is measured by fluorescence polarization or time-resolved FRET. IC₅₀ and EC₅₀ values are determined from dose-response curves.
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| Cell Assay |
For in vitro cell-based assays, cancer cell lines (e.g., lymphoma, breast cancer, lung cancer cells) are cultured in appropriate media supplemented with fetal bovine serum and antibiotics. Cells are treated with Fluorobexarotene at concentrations ranging from 0.1 nM - 10 μM for 24-72 hours. Cell viability is assessed by MTT or CCK-8 assays. RXR activation is measured by reporter gene assays using cells transfected with RXR-responsive luciferase reporter plasmids. Cell cycle analysis is performed by propidium iodide staining and flow cytometry. Apoptosis is evaluated by Annexin V-FITC/PI staining and caspase activity assays. Gene expression changes (e.g., RXR target genes involved in differentiation and apoptosis) are analyzed by qRT-PCR and Western blot.
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| Animal Protocol |
In vivo animal studies with Fluorobexarotene typically use mouse xenograft models of cancer. Immunodeficient mice are subcutaneously implanted with human cancer cells (e.g., lymphoma, breast cancer). When tumors reach a certain size, mice are treated with Fluorobexarotene orally or intraperitoneally at doses ranging from 10-100 mg/kg daily for 2-4 weeks. Tumor volume and body weight are monitored regularly. At study endpoint, tumors are excised, weighed, and processed for histopathological and molecular analyses (immunohistochemistry for proliferation markers Ki-67, apoptosis markers cleaved caspase-3). Blood samples are collected for pharmacokinetic analysis and toxicity assessment. Tissue samples are collected for histopathological examination.
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| ADME/Pharmacokinetics |
Fluorobexarotene has a molecular formula of C₂₄H₂₇FO₂ and a molecular weight of 366.47 g/mol. The compound is a fluorinated derivative of bexarotene, with the fluorine substitution enhancing RXR binding affinity (75% greater than bexarotene). As a lipophilic compound, fluorobexarotene is expected to have good oral bioavailability similar to bexarotene. The compound is typically dissolved in DMSO for in vitro studies and formulated in appropriate vehicles (e.g., oils, PEG-based formulations) for in vivo administration. Pharmacokinetic properties are expected to be similar to bexarotene, with extensive plasma protein binding and metabolism primarily through CYP3A4.
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| Toxicity/Toxicokinetics |
Fluorobexarotene is expected to have a toxicity profile similar to other retinoids, including bexarotene. Retinoids are known to cause side effects including hyperlipidemia, hypothyroidism, skin dryness, and gastrointestinal effects. As a potent RXR agonist, fluorobexarotene may have teratogenic potential and should not be used in pregnant women. The compound's higher RXR binding affinity (75% greater than bexarotene) may result in improved efficacy but could also affect the toxicity profile. Standard preclinical toxicology studies would be required for therapeutic development. The compound is intended for research purposes only and is not approved for clinical use.
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| References | |
| Additional Infomation |
Fluorobexarotene is a synthetic retinoid and a potent RXR agonist developed as a potential therapeutic agent for cancer treatment. It is a derivative of bexarotene, an FDA-approved drug for cutaneous T-cell lymphoma. Fluorobexarotene has a Ki of 12 nM and an EC₅₀ of 43 nM at RXRα receptors, with RXR binding affinity 75% greater than bexarotene. The compound is also known as compound 20. It is intended for research use only and is not approved as a therapeutic drug. Its mechanism of action involves RXR activation leading to modulation of gene expression involved in cell differentiation, proliferation, and apoptosis.
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| Molecular Formula |
C24H27FO2
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| Molecular Weight |
366.468390703201
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| Exact Mass |
366.2
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| CAS # |
1190848-23-7
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| PubChem CID |
25195496
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| Appearance |
White to off-white solid powder
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| LogP |
6.242
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
27
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| Complexity |
593
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
LWKAWHRSPCHMPJ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H27FO2/c1-14-11-19-20(24(5,6)10-9-23(19,3)4)13-18(14)15(2)16-7-8-17(22(26)27)21(25)12-16/h7-8,11-13H,2,9-10H2,1,3-6H3,(H,26,27)
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| Chemical Name |
2-fluoro-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) |
DMSO : ~36 mg/mL (~98.23 mM)
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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 | 2.7287 mL | 13.6437 mL | 27.2874 mL | |
| 5 mM | 0.5457 mL | 2.7287 mL | 5.4575 mL | |
| 10 mM | 0.2729 mL | 1.3644 mL | 2.7287 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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