Physicochemical Properties
| Molecular Formula | C15H14F3N3O |
| Molecular Weight | 309.29 |
| Exact Mass | 309.108 |
| CAS # | 615273-95-5 |
| PubChem CID | 891729 |
| Appearance | White to off-white solid powder |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 451.8±55.0 °C at 760 mmHg |
| Flash Point | 227.0±31.5 °C |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.533 |
| LogP | 3.81 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 22 |
| Complexity | 354 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | GCCXGRJKBSVDIZ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H14F3N3O/c16-15(17,18)13-10-12(11-4-2-1-3-5-11)19-14(20-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2 |
| Chemical Name | 4-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]morpholine |
| 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
| Targets | EP |
| ln Vitro | With a CC50 of 575 μM, EP2 receptor antagonist-2 is cytotoxic to C6G cells[1]. In rat primary hippocampal neurons (DIV14), NMDA (30 μM)-induced LDH release is lessened by EP2 receptor antagonist-2 (20 μM; 30 min) [1]. |
| References |
[1]. Discovery of 2-Piperidinyl Phenyl Benzamides and Trisubstituted Pyrimidines as Positive Allosteric Modulators of the Prostaglandin Receptor EP2. ACS Chem Neurosci. 2018 Apr 18;9(4):699-707. |
Solubility Data
| Solubility (In Vitro) | DMSO: 125 mg/mL (404.15 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.73 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 | 3.2332 mL | 16.1661 mL | 32.3321 mL | |
| 5 mM | 0.6466 mL | 3.2332 mL | 6.4664 mL | |
| 10 mM | 0.3233 mL | 1.6166 mL | 3.2332 mL |