Physicochemical Properties
| Molecular Formula | C17H22NO+.C11H7O3- |
| Molecular Weight | 443.53416 |
| Exact Mass | 443.21 |
| CAS # | 3818-50-6 |
| Related CAS # | Bephenium;7181-73-9 |
| PubChem CID | 54678490 |
| Appearance | White to off-white solid powder |
| Melting Point | 170-171ºC |
| LogP | 4.25 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 33 |
| Complexity | 466 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | PMPQCPQAHTXCDK-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C17H22NO.C11H8O3/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17;12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h3-12H,13-15H2,1-2H3;1-6,12H,(H,13,14)/q+1;/p-1 |
| Chemical Name | benzyl-dimethyl-(2-phenoxyethyl)azanium;3-carboxynaphthalen-2-olate |
| 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 |
| 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 |
- The target of Bephenium hydroxynaphthoate is the levamisole-sensitive acetylcholine receptor (L-AChR) of Haemonchus contortus [2] |
| ln Vivo |
- Bephenium hydroxynaphthoate was used for the treatment of ascariasis, and its therapeutic effect was evaluated in patients or experimental animals infected with Ascaris lumbricoides [1] |
| References |
[1]. Bephenium hydroxynaphthoate in treatment of ascariasis. Br Med J. 1960 Jul 23;2(5194):268-71. [2]. Selective effect of the anthelmintic bephenium on Haemonchus contortus levamisole-sensitive acetylcholine receptors. Invert Neurosci. 2012 Jun;12(1):43-51. |
| Additional Infomation |
- Bephenium hydroxynaphthoate is an anthelmintic drug, and this literature focuses on its application in the treatment of ascariasis [1] - This literature explores the mechanism of Bephenium hydroxynaphthoate by studying its selective effect on the levamisole-sensitive acetylcholine receptor of Haemonchus contortus [2] |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~60 mg/mL (~135.28 mM) H2O : < 0.1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (6.76 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 30.0 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: ≥ 3 mg/mL (6.76 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 30.0 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2546 mL | 11.2732 mL | 22.5464 mL | |
| 5 mM | 0.4509 mL | 2.2546 mL | 4.5093 mL | |
| 10 mM | 0.2255 mL | 1.1273 mL | 2.2546 mL |