Physicochemical Properties
| Molecular Formula | C19H20FN5O |
| Molecular Weight | 353.39 |
| Exact Mass | 353.165 |
| CAS # | 2650944-83-3 |
| PubChem CID | 71601851 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 26 |
| Complexity | 498 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | C(=O)(C1N2C(=NC=1C)C=CC=C2)CN1CCN(C2=NC=C(F)C=C2)CC1 |
| InChi Key | ZGLMIQGBDRQCKA-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H20FN5O/c1-14-19(25-7-3-2-4-18(25)22-14)16(26)13-23-8-10-24(11-9-23)17-6-5-15(20)12-21-17/h2-7,12H,8-11,13H2,1H3 |
| Chemical Name | 2-[4-(5-fluoropyridin-2-yl)piperazin-1-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone |
| 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 | IC50: 0.43 μM (human FATP1)[1]. IC50: 0.39 μM (mouse FATP1)[1] |
| ln Vivo | The mouse IC50 value is less than the Cmax values of FATP1-IN-2 (10 mg/kg; oral)[1]. For four weeks, FATP1-IN-2 (3, 10, and 30 mg/kg; orally delivered) did not alter the amount of TG present in any tissue, regardless of dose[1]. |
| Animal Protocol |
Animal/Disease Models: Mice[1] Doses: 10 mg/kg Route of Administration: Po Experimental Results: demonstrated a Cmax value above the mouse IC50 value. |
| References |
[1]. Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties. Bioorg Med Chem Lett. 2013;23(9):2560-2565. |
Solubility Data
| Solubility (In Vitro) | DMSO: 100 mg/mL (282.97 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (14.15 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 50.0 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: ≥ 5 mg/mL (14.15 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 50.0 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: ≥ 5 mg/mL (14.15 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 50.0 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 | 2.8297 mL | 14.1487 mL | 28.2973 mL | |
| 5 mM | 0.5659 mL | 2.8297 mL | 5.6595 mL | |
| 10 mM | 0.2830 mL | 1.4149 mL | 2.8297 mL |