Physicochemical Properties
| Molecular Formula | C23H20CL2F3N5O2S |
| Molecular Weight | 558.403411865234 |
| Exact Mass | 557.066 |
| CAS # | 2301866-59-9 |
| PubChem CID | 134813646 |
| Appearance | White to off-white solid powder |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 601.5±65.0 °C at 760 mmHg |
| Flash Point | 317.6±34.3 °C |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.653 |
| LogP | 5.44 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 36 |
| Complexity | 720 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | PIEQDBPBBQPLPL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H20Cl2F3N5O2S/c24-17-12-16(35-23(26,27)28)3-4-18(17)34-19-5-9-30-21(20(19)25)33-10-6-14(7-11-33)31-22(36)32-15-2-1-8-29-13-15/h1-5,8-9,12-14H,6-7,10-11H2,(H2,31,32,36) |
| Chemical Name | 1-[1-[3-chloro-4-[2-chloro-4-(trifluoromethoxy)phenoxy]pyridin-2-yl]piperidin-4-yl]-3-pyridin-3-ylthiourea |
| 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. |
| 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
| ln Vitro | The IC50 value for DO-264 is 11 nM (9.6 nM–13 nM). DO-264 inhibits ABHD12-dependent hemolytic PS hydrolysis Lipase activity in mouse meningeal lysate (IC50=2.8 nM, 2.4 nM-3.3 nM) and human THP-1 cells (IC50= 8.6 nM, 6.3 nM-12 nM), as well as the hemolytic PS hydrolytic activity of recombinant mouse and human ABHD12 in transfected HEK293T cell lysates (DO-264 IC50 values are roughly 30 and 90 nM for mouse and human ABHD12, respectively) [1]. |
| ln Vivo | There was a dose-dependent increase in hemolytic PS and 20:4 PS content in the brains of mice treated with DO-264, which was qualitatively similar to the changes found in ABHD12–/– mice. However, mice treated with DO-264 demonstrated minor decrease in hearing function 4 weeks following drug administration. Both ABHD12–/– and DO-264-treated mice demonstrated deterioration of immunopathology after infection with lymphocytic choriomeningitis virus (LCMV) clone 13, leading in severe inflammatory lung damage, increased chemokine production, In some cases it even leads to death[1]. |
| References |
[1]. Selective blockade of the lyso-PS lipase ABHD12 stimulates immune responses in vivo. Nat Chem Biol. 2018 Dec;14(12):1099-1108. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~179.08 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.72 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 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 (3.72 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 | 1.7908 mL | 8.9542 mL | 17.9083 mL | |
| 5 mM | 0.3582 mL | 1.7908 mL | 3.5817 mL | |
| 10 mM | 0.1791 mL | 0.8954 mL | 1.7908 mL |