Physicochemical Properties
| Molecular Formula | C22H19N3 |
| Molecular Weight | 325.4064 |
| Exact Mass | 325.157 |
| CAS # | 197913-15-8 |
| PubChem CID | 9862108 |
| Appearance | Light brown to brown solid powder |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 506.4±45.0 °C at 760 mmHg |
| Flash Point | 260.1±28.7 °C |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.629 |
| LogP | 2.86 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 25 |
| Complexity | 360 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | RCJCNSQHHMJLRL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H19N3/c23-21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H,23H2 |
| Chemical Name | 1-tritylimidazol-4-amine |
| 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 | Cytochrome P450 3A (CYP3A, hepatic) [1] |
| ln Vitro | CDD3506 specifically activates hepatic cytochrome P450IIIA and dramatically raises HDL cholesterol [1]. |
| References |
[1]. Method for increasing HDL cholesterol levels?using?heteroaromatic phenylmethanes. United States Patent 6103733. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~19 mg/mL (~58.39 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 1.9 mg/mL (5.84 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 19.0 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: 1.9 mg/mL (5.84 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 19.0 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.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.0730 mL | 15.3652 mL | 30.7305 mL | |
| 5 mM | 0.6146 mL | 3.0730 mL | 6.1461 mL | |
| 10 mM | 0.3073 mL | 1.5365 mL | 3.0730 mL |