Physicochemical Properties
| Molecular Formula | C17H18O9 |
| Molecular Weight | 366.322 |
| Exact Mass | 366.095 |
| Elemental Analysis | C, 55.74; H, 4.95; O, 39.31 |
| CAS # | 905954-17-8 |
| PubChem CID | 11508879 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 662.4±55.0 °C at 760 mmHg |
| Flash Point | 354.4±31.5 °C |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.711 |
| LogP | -0.02 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 26 |
| Complexity | 524 |
| Defined Atom Stereocenter Count | 5 |
| SMILES | O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C2OC=CC2=CC=1/C=C\C(=O)O |
| InChi Key | XRLPSAYLYDMYGX-UETKAVOHSA-N |
| InChi Code | InChI=1S/C17H18O9/c18-7-12-14(21)15(22)16(23)17(26-12)25-11-6-10-9(3-4-24-10)5-8(11)1-2-13(19)20/h1-6,12,14-18,21-23H,7H2,(H,19,20)/b2-1-/t12-,14-,15+,16-,17-/m1/s1 |
| Chemical Name | (Z)-3-[6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-5-yl]prop-2-enoic acid |
| Synonyms | Psoralenoside |
| 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
| Targets | L-type calcium channel; H1 Receptor |
| References |
[1]. Psoralenoside and isopsoralenoside, two new benzofuran glycosides from Psoralea corylifolia. Chem Pharm Bull (Tokyo). 2006 May;54(5):714-6. [2]. Pharmacological and computational evaluation of fig for therapeutic potential in hyperactive gastrointestinal disorders. BMC Complement Altern Med. 2019 Dec 3;19(1):348. [3]. A UPLC-MS/MS method for in vivo and in vitro pharmacokinetic studies of psoralenoside, isopsoralenoside, psoralen and isopsoralen from Psoralea corylifolia extract. J Ethnopharmacol. 2014;151(1):609-17. |
| Additional Infomation | Psoralenoside has been reported in Cullen corylifolium with data available. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~273 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.82 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 (6.82 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 (6.82 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 | 2.7299 mL | 13.6493 mL | 27.2985 mL | |
| 5 mM | 0.5460 mL | 2.7299 mL | 5.4597 mL | |
| 10 mM | 0.2730 mL | 1.3649 mL | 2.7299 mL |