Physicochemical Properties
| Molecular Formula | C26H25N5O2 |
| Molecular Weight | 439.509005308151 |
| Exact Mass | 439.201 |
| CAS # | 1304778-15-1 |
| PubChem CID | 25198728 |
| Appearance | White to off-white solid powder |
| LogP | 4.932 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 33 |
| Complexity | 706 |
| Defined Atom Stereocenter Count | 1 |
| SMILES | CCN1C2=CC=CC=C2N(C1=O)[C@H]3CCCN(C3)C4=NC=CC(=N4)C5=CC6=CC=CC=C6O5 |
| InChi Key | NXTBLPPTZRPJCA-IBGZPJMESA-N |
| InChi Code | InChI=1S/C26H25N5O2/c1-2-30-21-10-4-5-11-22(21)31(26(30)32)19-9-7-15-29(17-19)25-27-14-13-20(28-25)24-16-18-8-3-6-12-23(18)33-24/h3-6,8,10-14,16,19H,2,7,9,15,17H2,1H3/t19-/m0/s1 |
| Chemical Name | 1-[(3S)-1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]piperidin-3-yl]-3-ethylbenzimidazol-2-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
| References |
[1]. Characterization of fatty acid amide hydrolase activity by a fluorescence-based assay. Anal Biochem. 2018 Apr 1;546:50-57. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~568.82 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.08 mg/mL (4.73 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 (4.73 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 | 2.2753 mL | 11.3763 mL | 22.7526 mL | |
| 5 mM | 0.4551 mL | 2.2753 mL | 4.5505 mL | |
| 10 mM | 0.2275 mL | 1.1376 mL | 2.2753 mL |