Physicochemical Properties
| Molecular Formula | C13H15NO2 |
| Molecular Weight | 217.26400 |
| Exact Mass | 217.11 |
| CAS # | 884-68-4 |
| Related CAS # | (+)-Viroallosecurinine;1857-30-3 |
| PubChem CID | 267769 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.30 g/cm3 |
| Boiling Point | 459.0±45.0℃ at 760 mmHg |
| Melting Point | 136-138℃ |
| LogP | 1.342 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Heavy Atom Count | 16 |
| Complexity | 426 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | SWZMSZQQJRKFBP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2 |
| Chemical Name | 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one |
| 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 | Suggested by Phytophthora plants, leaf base alkaloids are a class of natural products with significant biological activities that include stimulating the central nervous system (CNS) and having antibacterial, anti-tumor, and anti-malarial properties [1]. |
| References |
[1]. Leishmanicidal Activity of (+)-Phyllanthidine and the Phytochemical Profile of Margaritaria nobilis (Phyllanthaceae). Molecules, 2015;20(12), 22157–22169. |
| Additional Infomation |
Virosecurinine is a member of indolizines. Virosecurinine has been reported in Flueggea suffruticosa and Phyllanthus niruri with data available. See also: Securinine (annotation moved to); Allosecurinine (annotation moved to); Viroallosecurinine (annotation moved to) ... View More ... |
Solubility Data
| Solubility (In Vitro) | DMSO : ~50 mg/mL (~230.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (9.57 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: ≥ 1.25 mg/mL (5.75 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 12.5 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.6028 mL | 23.0139 mL | 46.0278 mL | |
| 5 mM | 0.9206 mL | 4.6028 mL | 9.2056 mL | |
| 10 mM | 0.4603 mL | 2.3014 mL | 4.6028 mL |