Physicochemical Properties
| Molecular Formula | C21H29CL2FN2O2 |
| Molecular Weight | 431.37 |
| Exact Mass | 430.159 |
| CAS # | 918430-49-6 |
| Related CAS # | TTA-P2;1072018-68-8 |
| PubChem CID | 16005493 |
| Appearance | White to off-white solid powder |
| Density | 1.25g/cm3 |
| Boiling Point | 510.1°C at 760 mmHg |
| Flash Point | 262.3°C |
| LogP | 5.245 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 28 |
| Complexity | 531 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DKNDOKIVCXTFHJ-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27) |
| Chemical Name | 3,5-dichloro-N-[[1-[(2,2-dimethyloxan-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]benzamide |
| 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
| References |
[1]. Preclinical efficacy of travoprost, a potent and selective FP prostaglandin receptor agonist. J Ocul Pharmacol Ther. 2001 Oct;17(5):421-32. |
Solubility Data
| Solubility (In Vitro) | DMSO: 50 mg/mL (115.91 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1 mg/mL (2.32 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 mg/mL (2.32 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 10.0 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: ≥ 1 mg/mL (2.32 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 10.0 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 | 2.3182 mL | 11.5910 mL | 23.1820 mL | |
| 5 mM | 0.4636 mL | 2.3182 mL | 4.6364 mL | |
| 10 mM | 0.2318 mL | 1.1591 mL | 2.3182 mL |