Physicochemical Properties
| Molecular Formula | C17H19N3O2 |
| Molecular Weight | 297.35 |
| Exact Mass | 297.147 |
| CAS # | 194098-25-4 |
| Related CAS # | CP-409092 hydrochloride;225240-86-8 |
| PubChem CID | 9839190 |
| Appearance | Typically exists as solid at room temperature |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 475.0±45.0 °C at 760 mmHg |
| Flash Point | 241.1±28.7 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.658 |
| LogP | 0.85 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 22 |
| Complexity | 418 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=C(C1=CNC2=C1C(CCC2)=O)NC3=CC=C(CNC)C=C3 |
| InChi Key | XFJIYNUISLDNLP-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C17H19N3O2/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22) |
| Chemical Name | N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide |
| Synonyms | CP 409092; CP409092; CP-409092 |
| 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
| ln Vivo | The pharmacokinetic profile of CP-409,092 following single intravenous and oral dosages of 4 and 15 mg/kg, respectively, was a high clearance of 169+ or -18 mL/min/kg and a volume of distribution of 8.99+ or -1.46 L /kg, oral bioavailability is 2.9%+ or -3%. Following oral administration of 100 mg/kg [14C]CP-409,092, the total recovery rate was 89.1% + or -3.2% in male rats and 89.3% + or -0.58% in female rats [1]. |
| References |
[1]. Metabolism, pharmacokinetics and excretion of the GABA(A) receptor partial agonist [(14)C]CP-409,092 in rats. Xenobiotica. 2010 Jun;40(6):400-14. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~41.67 mg/mL (~140.14 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (7.00 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 (7.00 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 (7.00 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 | 3.3630 mL | 16.8152 mL | 33.6304 mL | |
| 5 mM | 0.6726 mL | 3.3630 mL | 6.7261 mL | |
| 10 mM | 0.3363 mL | 1.6815 mL | 3.3630 mL |