| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Retinoic acid receptor alpha (RARα) and PPAR-γ. Ro 41-5253 is a selective RARα antagonist that binds to RARα without inducing transcription. It also acts as a ligand and partial agonist of PPAR-γ. RARα is a nuclear receptor that mediates the effects of retinoic acid on gene transcription, playing roles in development, differentiation, and cancer.
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| ln Vitro |
In a time- and dose-dependent way, Ro 41-5253 (1 nM-10 μM, 10 days) strongly suppresses the proliferation of MCF-7 and ZR 75.1 cells and promotes apoptosis [1].
In vitro, Ro 41-5253 demonstrates RARα antagonist activity and PPAR-γ partial agonist activity. The compound inhibits the proliferation of estrogen receptor-positive breast cancer cells such as MCF-7 and ZR-75.1. Its anti-tumor activity is attributed to its effects on RARα and PPAR-γ signaling. Ro 41-5253 also exhibits antiviral activity. |
| ln Vivo |
Ro 41-5253, administered orally once a week for four weeks at a dose of 10-600 mg/kg, has been shown to decrease tumor volume in female athymic Balb/mouse implanted with MCF-7 cell line [2].
In vivo, Ro 41-5253 has been evaluated in preclinical models of cancer and viral infection. The compound's oral activity makes it suitable for in vivo studies. Its anti-tumor effects have been demonstrated in models of breast cancer. The compound's antiviral activity has also been investigated. Further in vivo studies are needed to fully characterize its therapeutic potential. |
| Enzyme Assay |
Cell-free receptor binding assays for Ro 41-5253 use purified recombinant RARα or PPAR-γ ligand-binding domains. The compound is incubated with the receptor and a radiolabeled or fluorescently labeled ligand (e.g., [³H]-all-trans-retinoic acid for RARα) at varying concentrations for 60-120 minutes at 4°C. Nonspecific binding is determined in the presence of an excess of unlabeled ligand. Bound and free ligand are separated, and binding affinity (Kd, Ki) is calculated from binding curves.
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| Cell Assay |
Cell proliferation assay[1]
Cell Types: Human breast cancer lines MCF-7 and ZR 75.1 Tested Concentrations: 1 nM-10 μM Incubation Duration: 10 days Experimental Results: 81% inhibition of MCF-7 cell growth and 30% cell growth at 10 μM1 There is inhibitory effect at μM, but no obvious inhibitory effect at concentrations lower than 0.1 μM. ZR 75.1 inhibited cell growth by 74% at 10 μM, 63% at 1 μM, and 42% at 0.1 μM. Apoptosis analysis[1] Cell Types: Human breast cancer lines MCF-7 and ZR 75.1 Tested Concentrations: 1 nM-10 μM Incubation Duration: 10 days Experimental Results: 28.5, 21.6, 16 and 12% of MCF-7 cells induced at 10 On the fourth day of apoptosis, 10 μM, 1 μM, 0.1 μM and 0.01 μM were used to induce 58%, 51%, 36% and 21% of cells respectively. On the sixth day, 10 μM, 1 μM, 0.1 μM and 0.01 μM induced apoptosis in 80%, 65%, 43% and 29% of ZR 75.1 cells, respectively. Cellular assays for Ro 41-5253 use breast cancer cell lines such as MCF-7 or ZR-75.1. Cells are seeded in 96-well plates and treated with Ro 41-5253 at concentrations ranging from 0.01-100 μM for 24-72 hours. Cell viability is measured using MTT, CCK-8, or CellTiter-Glo assays. RARα target gene expression (e.g., CYP26A1) is measured by qPCR to assess antagonist activity. PPAR-γ target gene expression (e.g., CD36, adiponectin) is measured to assess partial agonist activity. Anti-proliferative effects are quantified from dose-response curves. |
| Animal Protocol |
Animal/Disease Models: Sixweeks old female athymic Balb/mouse transplanted with MCF-7 cell line [2]
Doses: 10, 30, 100, 300 and 600 mg/kg Route of Administration: po (oral gavage); once a week; 4-week Experimental Results: Doses of 10, 30 and 100 mg/kg diminished tumor volume without toxic side effects. In vivo efficacy studies are conducted in mouse models of breast cancer or other cancers. Ro 41-5253 is administered orally at doses typically ranging from 1-50 mg/kg. Tumor volume is measured every 2-3 days using calipers. At study termination, tumors are excised and processed for immunohistochemistry or Western blot analysis to assess RARα and PPAR-γ target gene modulation. Pharmacodynamic studies involve measuring target gene expression in tumors and other tissues. |
| ADME/Pharmacokinetics |
Pharmacokinetic studies of Ro 41-5253 demonstrate that the compound is orally active. PK parameters such as Cmax, Tmax, AUC, half-life, and oral bioavailability are determined in preclinical species. The compound's favorable PK properties support oral dosing for in vivo studies. Metabolic stability and protein binding are assessed using standard in vitro assays.
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| Toxicity/Toxicokinetics |
Toxicological data for Ro 41-5253 are limited to preclinical research studies. As a RARα antagonist and PPAR-γ partial agonist, potential toxicities may include effects on retinoid signaling, which plays roles in development and tissue homeostasis. Standard toxicology studies would be required for clinical development. At research-grade doses, the compound is handled with standard laboratory safety precautions.
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| References |
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| Additional Infomation |
Ro 41-5253 is a sulfonium compound with the structure 3,4-dihydro-2H-1-benzothiapyran S,S-dioxide, in which the two hydrogen atoms at position 4 are replaced by a methyl group, the hydrogen atom at position 7 is replaced by a heptoxy group, and the hydrogen atom at position 6 is replaced by a 1-phenylprop-1-en-2-yl group, with the phenyl group at the para-position replaced by a carboxyl group. It is a selective antagonist of retinoic acid receptor α. It exhibits both retinoic acid receptor α antagonist and apoptosis-inducing effects. It is a sulfonium compound, a sulfone compound, a benzoic acid compound, and an aromatic ether compound.
Ro 41-5253 is a research compound for studying RARα and PPAR-γ biology. It is not an approved drug and has not entered clinical trials. The compound is available from chemical suppliers for research purposes only. Its dual activity as a RARα antagonist and PPAR-γ partial agonist makes it a valuable tool for dissecting the roles of these nuclear receptors in cancer, metabolism, and viral infection. The compound is typically stored at -20°C for long-term stability. |
| Molecular Formula |
C28H36O5S
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|---|---|
| Molecular Weight |
484.65
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| Exact Mass |
484.228
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| CAS # |
144092-31-9
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| PubChem CID |
5312120
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| Appearance |
White to off-white solid powder
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| Density |
1.154g/cm3
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| Boiling Point |
661.4ºC at 760 mmHg
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| Flash Point |
353.8ºC
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| Vapour Pressure |
2.16E-18mmHg at 25°C
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| Index of Refraction |
1.558
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| LogP |
7.83
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
34
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| Complexity |
801
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCOC1=CC2=C(C=C1/C(=C/C3=CC=C(C=C3)C(=O)O)/C)C(CCS2(=O)=O)(C)C
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| InChi Key |
JEIWQRITHXYGIF-LVZFUZTISA-N
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| InChi Code |
InChI=1S/C28H36O5S/c1-5-6-7-8-9-15-33-25-19-26-24(28(3,4)14-16-34(26,31)32)18-23(25)20(2)17-21-10-12-22(13-11-21)27(29)30/h10-13,17-19H,5-9,14-16H2,1-4H3,(H,29,30)/b20-17+
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| Chemical Name |
4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid
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| Synonyms |
Ro-41-5253; Ro 415253; Ro 41-5253
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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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 : ~100 mg/mL (~206.33 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.16 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.16 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0633 mL | 10.3167 mL | 20.6334 mL | |
| 5 mM | 0.4127 mL | 2.0633 mL | 4.1267 mL | |
| 10 mM | 0.2063 mL | 1.0317 mL | 2.0633 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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