Physicochemical Properties
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.29 |
| Exact Mass | 258.126 |
| CAS # | 56684-87-8 |
| PubChem CID | 10466989 |
| Appearance | White to off-white solid powder |
| Density | 1.126g/cm3 |
| Boiling Point | 406.1ºC at 760 mmHg |
| Melting Point | 93.5 - 94.5 °C |
| Flash Point | 199.4ºC |
| Index of Refraction | 1.572 |
| LogP | 3.194 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 18 |
| Complexity | 244 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | VYQXIUVIYICVCM-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H16O3/c1-18-15-9-12(8-14(17)10-15)6-5-11-3-2-4-13(16)7-11/h2-4,7-10,16-17H,5-6H2,1H3 |
| Chemical Name | 3-[2-(3-hydroxyphenyl)ethyl]-5-methoxyphenol |
| HS Tariff Code | 2934.99.9001 |
| 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) |
Biological Activity
| ln Vitro | In H460 cells, batatasin III (25-100 μM; 48 h) has anti-proliferative action. Batatasin III is not harmful at values below 100 μM[1]. Batatasin III dramatically inhibits EMT, as seen by the up-regulation of E-cadherin and the decrease of Vimentin and N-cadherin[1]. |
| References |
[1]. Batatasin III Inhibits Migration of Human Lung Cancer Cells by Suppressing Epithelial to Mesenchymal Transition and FAK-AKT Signals. Anticancer Res. 2017 Nov;37(11):6281-6289. |
| Additional Infomation |
Batatasin III is a stilbenoid. batatasin III has been reported in Coelogyne elata, Dendrobium draconis, and other organisms with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (409.35 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (10.23 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (10.23 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (10.23 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 | 4.0935 mL | 20.4675 mL | 40.9350 mL | |
| 5 mM | 0.8187 mL | 4.0935 mL | 8.1870 mL | |
| 10 mM | 0.4093 mL | 2.0467 mL | 4.0935 mL |