Physicochemical Properties
| Molecular Formula | C17H14O2 |
| Molecular Weight | 250.2919 |
| Exact Mass | 250.099 |
| CAS # | 137319-34-7 |
| Related CAS # | 137319-34-7 |
| PubChem CID | 5316810 |
| Appearance | White to off-white solid |
| LogP | 4.355 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 19 |
| Complexity | 340 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O([H])C1C([H])=C([H])C2=C(C([H])=C([H])C3=C([H])C(=C([H])C(C([H])=C([H])[H])=C23)O[H])C=1C([H])([H])[H] |
| InChi Key | GSSPKCPIRDPBQE-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H14O2/c1-3-11-8-13(18)9-12-4-5-14-10(2)16(19)7-6-15(14)17(11)12/h3-9,18-19H,1H2,2H3 |
| Chemical Name | 5-ethenyl-1-methylphenanthrene-2,7-diol |
| Synonyms | Dehydroeffusol |
| 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 | The expression of VE-cadherin, a crucial gene for angiogenesis mimicry, is inhibited by dehydroeffusol [2]. MMP2 expression and activity are decreased in gastric cancer cells by dehydroeffusol [2]. |
| References |
[1]. Dehydroeffusol inhibits gastric cancer cell growth and tumorigenicity by selectively inducing tumor-suppressive endoplasmic reticulum stress and a moderate apoptosis. Biochem Pharmacol. 2016 Mar 15;104:8-18. [2]. Dehydroeffusol effectively inhibits human gastric cancer cell-mediated vasculogenic mimicry with low toxicity. Toxicol Appl Pharmacol. 2015 Sep 1;287(2):98-110. |
| Additional Infomation | 5-Ethenyl-1-methylphenanthrene-2,7-diol has been reported in Juncus setchuensis, Juncus effusus, and Juncus acutus with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~399.5 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.99 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 (9.99 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 (9.99 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 | 3.9954 mL | 19.9768 mL | 39.9537 mL | |
| 5 mM | 0.7991 mL | 3.9954 mL | 7.9907 mL | |
| 10 mM | 0.3995 mL | 1.9977 mL | 3.9954 mL |