 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C22H26O8 |
| Molecular Weight | 418.437047481537 |
| Exact Mass | 418.162 |
| CAS # | 2170228-67-6 |
| PubChem CID | 168008611 |
| Appearance | White to off-white solid powder |
| LogP | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 30 |
| Complexity | 832 |
| Defined Atom Stereocenter Count | 2 |
| SMILES | O1C(C(=C)[C@@H]2[C@@H](CC(C=O)=CC[C@@H](C(C)=C[C@@H]12)OC(C)=O)OC(/C(=C/CO)/C)=O)=O |c:9,t:14| |
| InChi Key | MAIWERGSXNNKMK-NGHBZJCYSA-N |
| InChi Code | InChI=1S/C22H26O8/c1-12(7-8-23)21(26)29-19-10-16(11-24)5-6-17(28-15(4)25)13(2)9-18-20(19)14(3)22(27)30-18/h5,7,9,11,17-20,23H,3,6,8,10H2,1-2,4H3/b12-7+,13-9-,16-5+/t17?,18-,19?,20+/m1/s1 |
| Chemical Name | [(3aR,6E,10Z,11aR)-9-acetyloxy-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-methylbut-2-enoate |
| 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: This product requires protection from light (avoid light exposure) during transportation and storage. |
| 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 human MDA-MB-468 breast cancer cells, eupalinolide O may cause cell cycle arrest and apoptosis. The human MDA-MB-468 breast cancer cells exhibit anti-TNBC (triple-negative breast cancer) action when exposed to eupalinolide O [1]. |
| References |
[1]. Precise discovery of a STAT3 inhibitor from Eupatorium lindleyanum and evaluation of its activity of anti-triple-negative breast cancer. Nat Prod Res. 2019 Feb;33(4):477-485. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (238.98 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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 (5.97 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 (5.97 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 | 2.3898 mL | 11.9491 mL | 23.8983 mL | |
| 5 mM | 0.4780 mL | 2.3898 mL | 4.7797 mL | |
| 10 mM | 0.2390 mL | 1.1949 mL | 2.3898 mL |