| 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 |
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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].
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|---|---|
| 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].
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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. |
| 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. |
| References |
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| Additional Infomation |
Ro 41-5253 is a thiochromane that is 3,4-dihydro-2H-1-benzothiopyran S,S-dioxide in which the hydrogens at position 4 are both replaced by methyl groups, the hydrogens at position 7 is replaced by a heptyloxy group, while the hydrogen at position 6 is replaced by a 1-phenylprop-1-en-2-yl group, the phenyl group of which is substituted at the para position by a carboxy group. It is a selective antagonist for retinoic acid receptor alpha. It has a role as a retinoic acid receptor alpha antagonist and an apoptosis inducer. It is a thiochromane, a sulfone, a member of benzoic acids and an aromatic ether.
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| 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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