Physicochemical Properties
| Molecular Formula | C16H15F3N4O2 |
| Molecular Weight | 352.311113595963 |
| Exact Mass | 352.114 |
| CAS # | 2225728-57-2 |
| Related CAS # | 2225728-57-2 |
| PubChem CID | 134492522 |
| Appearance | White to light yellow solid |
| LogP | 1.6 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 25 |
| Complexity | 514 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | XCLPBILTRRWOIL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H15F3N4O2/c1-15(2)11-5-3-4-9(14(24)22-25)10(11)8-23(15)13-7-20-12(6-21-13)16(17,18)19/h3-7,25H,8H2,1-2H3,(H,22,24) |
| Chemical Name | N-hydroxy-1,1-dimethyl-2-[5-(trifluoromethyl)pyrazin-2-yl]-3H-isoindole-4-carboxamide |
| Synonyms | FT895 |
| 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 | HDAC11 (IC50 = 3 nM) |
| ln Vitro | FT895, an extremely selective HDAC11, demonstrates over 1000-fold selectivity against ten more HDAC family members [1]. |
| References |
[1]. Discovery of novel N-hydroxy-2-arylisoindoline-4-carboxamides as potent and selective inhibitors of HDAC11. Bioorg Med Chem Lett. 2018 Jul 1;28(12):2143-2147. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~125 mg/mL (~354.8 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.90 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 (5.90 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 20.8 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: ≥ 2.08 mg/mL (5.90 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 | 2.8384 mL | 14.1920 mL | 28.3841 mL | |
| 5 mM | 0.5677 mL | 2.8384 mL | 5.6768 mL | |
| 10 mM | 0.2838 mL | 1.4192 mL | 2.8384 mL |