Physicochemical Properties
| Molecular Formula | C16H16O6 |
| Molecular Weight | 304.29 |
| Exact Mass | 304.094 |
| CAS # | 102036-29-3 |
| PubChem CID | 13846689 |
| Appearance | Light yellow to orange solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 655.5±55.0 °C at 760 mmHg |
| Flash Point | 350.2±31.5 °C |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.700 |
| LogP | 1.13 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 22 |
| Complexity | 391 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | QRTYTQTVJQUCEP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H16O6/c17-7-16(21)6-9-3-13(19)14(20)5-12(9)11-2-1-10(18)4-15(11)22-8-16/h1-5,17-21H,6-8H2 |
| Chemical Name | 10-(hydroxymethyl)-8-oxatricyclo[10.4.0.02,7]hexadeca-1(16),2(7),3,5,12,14-hexaene-5,10,14,15-tetrol |
| 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 | Tumor cells are dose-dependently inhibited by protosappanin B (12.5, 25, 50, 100, and 200 µg/mL, 48 hours); the IC50 values for SW-480 and HCT are 21.32 µg/mL, 26.73 µg/mL, and 76.53 µg/mL, correspondingly. -116 and BTT cells, in that order[1]. |
| Cell Assay |
Cell Viability Assay[1] Cell Types: CT-116, SW-480 and BTT Cell Tested Concentrations: 12.5, 25, 50, 100, 200 µg/mL Incubation Duration: 48 hrs (hours) Experimental Results: Dose-dependent inhibition of tumor cells after 48 hrs (hours) Treatment. |
| References |
[1]. Antitumor Effects of Purified Protosappanin B Extracted From Lignum Sappan. Integr Cancer Ther. 2016 Mar;15(1):87-95. [2]. Protosappanin B promotes apoptosis and causes G1 cell cycle arrest in human bladder cancer cells. Sci Rep. 2019 Jan 31;9(1):1048. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~164.32 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.84 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 20.8 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: ≥ 2.08 mg/mL (6.84 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 20.8 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 3: ≥ 2.08 mg/mL (6.84 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 20.8 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 | 3.2863 mL | 16.4317 mL | 32.8634 mL | |
| 5 mM | 0.6573 mL | 3.2863 mL | 6.5727 mL | |
| 10 mM | 0.3286 mL | 1.6432 mL | 3.2863 mL |