Physicochemical Properties
| Molecular Formula | C25H37NO |
| Molecular Weight | 367.5674 |
| Exact Mass | 367.288 |
| CAS # | 883715-18-2 |
| PubChem CID | 68741582 |
| Appearance | Off-white to light yellow solid powder |
| Density | 0.943±0.06 g/cm3 (20 ºC,760 mmHg), 计算值 |
| LogP | 7.283 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 15 |
| Heavy Atom Count | 27 |
| Complexity | 430 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NCC1=CC=CC=C1 |
| InChi Key | VCMMYRWIEZCYDK-PDBXOOCHSA-N |
| InChi Code | InChI=1S/C25H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h3-4,6-7,9-10,16-18,20-21H,2,5,8,11-15,19,22-23H2,1H3,(H,26,27)/b4-3-,7-6-,10-9- |
| Chemical Name | (9Z,12Z,15Z)-N-benzyloctadeca-9,12,15-trienamide |
| 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
| References |
[1]. Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition. Bioorg Med Chem. 2013 Sep 1;21(17):5188-97. |
| Additional Infomation |
n-Benzyl-(9z,12z,15z)-octadecatrienamide has been reported in Heliopsis helianthoides and Lepidium meyenii with data available. See also: Lepidium meyenii root (part of). |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~272.06 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.80 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 (6.80 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 (6.80 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 | 2.7206 mL | 13.6029 mL | 27.2057 mL | |
| 5 mM | 0.5441 mL | 2.7206 mL | 5.4411 mL | |
| 10 mM | 0.2721 mL | 1.3603 mL | 2.7206 mL |