Physicochemical Properties
| Molecular Formula | C28H29NO8 |
| Molecular Weight | 507.53 |
| Exact Mass | 507.189 |
| CAS # | 1352914-53-4 |
| PubChem CID | 56946531 |
| Appearance | White to off-white solid powder |
| LogP | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 37 |
| Complexity | 799 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | COC1=CC=C(C=C1)[C@@]23[C@H]([C@@H]([C@@H]([C@@]2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)NOC)C5=CC=CC=C5 |
| InChi Key | KLSIFOJPWJBRFH-DFEWDZLZSA-N |
| InChi Code | InChI=1S/C28H29NO8/c1-33-18-12-10-17(11-13-18)28-23(16-8-6-5-7-9-16)22(26(31)29-36-4)25(30)27(28,32)24-20(35-3)14-19(34-2)15-21(24)37-28/h5-15,22-23,25,30,32H,1-4H3,(H,29,31)/t22-,23-,25-,27+,28+/m0/s1 |
| Chemical Name | (1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-N,6,8-trimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide |
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage.(2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| References |
[1]. Targeting the eIF4A RNA helicase blocks translation of the MUC1-C oncoprotein [published correction appears in Oncogene. 2021 May;40(18):3347]. Oncogene. 2013;32(17):2179-2188. |
Solubility Data
| Solubility (In Vitro) | DMSO: 200 mg/mL (394.07 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.88 mg/mL (5.67 mM) 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; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 28.8 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 2: 2.88 mg/mL (5.67 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 28.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. Solubility in Formulation 3: 2.87 mg/mL (5.65 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 28.7 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9703 mL | 9.8516 mL | 19.7033 mL | |
| 5 mM | 0.3941 mL | 1.9703 mL | 3.9407 mL | |
| 10 mM | 0.1970 mL | 0.9852 mL | 1.9703 mL |