CP-409092 HCl, the hydrochloride salt of CP-409092, is a novel and potent partial agonist of GABAA receptor with potential anti-anxiety activity.
Physicochemical Properties
| Molecular Formula | C17H20CLN3O2 |
| Molecular Weight | 333.8126 |
| Exact Mass | 333.124 |
| CAS # | 225240-86-8 |
| Related CAS # | CP-409092;194098-25-4 |
| PubChem CID | 139035003 |
| Appearance | White to off-white solid powder |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 23 |
| Complexity | 418 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | Cl[H].O=C1C([H])([H])C([H])([H])C([H])([H])C2=C1C(C(N([H])C1C([H])=C([H])C(C([H])([H])N([H])C([H])([H])[H])=C([H])C=1[H])=O)=C([H])N2[H] |
| 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 | 1H-Indole-3-carboxamide, 4,5,6,7-tetrahydro-N-(4-((methylamino)methyl)phenyl)-4-oxo- |
| Synonyms | CP-409092; CP409092; CP 409092; UNII-420WLS764W. |
| 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, 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
| 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) |
H2O : ~50 mg/mL (~149.79 mM) DMSO : ~41.67 mg/mL (~124.83 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.23 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 (6.23 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 (6.23 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. Solubility in Formulation 4: 25 mg/mL (74.89 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9957 mL | 14.9786 mL | 29.9572 mL | |
| 5 mM | 0.5991 mL | 2.9957 mL | 5.9914 mL | |
| 10 mM | 0.2996 mL | 1.4979 mL | 2.9957 mL |