Physicochemical Properties
| Molecular Formula | C20H25CLN2OS |
| Molecular Weight | 376.94 |
| Exact Mass | 376.138 |
| CAS # | 7681-67-6 |
| Related CAS # | Propionylpromazine;3568-24-9;Propionylpromazine-d6 hydrochloride;1262770-67-1 |
| PubChem CID | 24351 |
| Appearance | Typically exists as solid at room temperature |
| Boiling Point | 507.4ºC at 760 mmHg |
| Melting Point | 90-93ºC |
| Flash Point | 260.7ºC |
| LogP | 5.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 25 |
| Complexity | 428 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.Cl |
| InChi Key | ZFWVWZODBGTOIL-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C20H24N2OS.ClH/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20;/h5-6,8-11,14H,4,7,12-13H2,1-3H3;1H |
| Chemical Name | 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one;hydrochloride |
| 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
| Targets | D2 Receptor |
| References | [1]. Tyers, Mike, et al. Method for treating a brain cancer with ifenprodil. US8058243. |
Solubility Data
| Solubility (In Vitro) |
DMSO: 83.33 mg/mL (221.07 mM) H2O: 8.33 mg/mL (22.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.52 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 (5.52 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: 50 mg/mL (132.65 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 | 2.6529 mL | 13.2647 mL | 26.5294 mL | |
| 5 mM | 0.5306 mL | 2.6529 mL | 5.3059 mL | |
| 10 mM | 0.2653 mL | 1.3265 mL | 2.6529 mL |