Physicochemical Properties
| Molecular Formula | C23H30N6O |
| Molecular Weight | 406.5239 |
| Exact Mass | 406.248 |
| CAS # | 885704-21-2 |
| PubChem CID | 11654378 |
| Appearance | White to gray solid powder |
| LogP | 3.267 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 30 |
| Complexity | 631 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | DXPSQKSTVIVZLV-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C23H30N6O/c1-17-5-7-29(8-6-17)22-14-19(28-11-9-27(2)10-12-28)3-4-20(22)26-23(30)21-13-18(15-24)16-25-21/h3-4,13-14,16-17,25H,5-12H2,1-2H3,(H,26,30) |
| Chemical Name | 4-cyano-N-[4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide |
| 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]. Structure-based optimization of a potent class of arylamide FMS inhibitors. Bioorganic & Medicinal Chemistry Letters (2008), 18(12), 3632-3637. [2]. Discovery of novel FMS kinase inhibitors as anti-inflammatory agents. Bioorganic & Medicinal Chemistry Letters (2008), 18(5), 1642-1648. |
| Additional Infomation | 4-cyano-N-[4-(4-methyl-1-piperazinyl)-2-(4-methyl-1-piperidinyl)phenyl]-1H-pyrrole-2-carboxamide is an aromatic amide. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~25 mg/mL (~61.50 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.15 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 25.0 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 | 2.4599 mL | 12.2995 mL | 24.5990 mL | |
| 5 mM | 0.4920 mL | 2.4599 mL | 4.9198 mL | |
| 10 mM | 0.2460 mL | 1.2300 mL | 2.4599 mL |