 Chemical Structure.png)
Physicochemical Properties
| Molecular Formula | C31H23CL7N2O |
| Molecular Weight | 687.70 |
| Exact Mass | 683.963 |
| CAS # | 57265-65-3 |
| Related CAS # | 57265-65-3 (chloride);95013-41-5 (cation); |
| PubChem CID | 644274 |
| Appearance | White to off-white solid powder |
| Boiling Point | 724.9ºC at 760mmHg |
| Melting Point | 172-176ºC |
| LogP | 7.295 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 9 |
| Heavy Atom Count | 41 |
| Complexity | 742 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | YGEIMSMISRCBFF-UHFFFAOYSA-M |
| InChi Code | InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1 |
| Chemical Name | 1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-3-ium;chloride |
| 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 | Kd: 3 nM (Calmodulin)[3] |
| ln Vitro | In addition to its common usage as a calmodulin (CaM) antagonist, carbamazole is also known to cause apoptosis in specific cancer cell lines. Mouse F9 ECC development is inhibited by trimetazolium chloride (3, 5, 7, 10 μM, 30 minutes-24 hours) [2]. |
| Cell Assay |
Cell Viability Assay[2] Cell Types: Mouse F9 ECCs Tested Concentrations: 3, 5, 7, 10 μM Incubation Duration: 30 minutes-24 hrs (hours) Experimental Results: The IC50s of Calmidazolium chloride treated F9 ECCs and E14 ESCs are 8.18 μM, and 12.69 μM[2]. |
| References |
[1]. Comparison of the calmodulin antagonists compound 48/80 and calmidazolium. Biochem J. 1983 Dec 15;216(3):611-6. [2]. Calmidazolium chloride inhibits growth of murine embryonal carcinoma cells, a model of cancer stem-like cells. Toxicol In Vitro. 2016 Sep;35:86-92. [3]. Calmidazolium evokes high calcium fluctuations in Plasmodium falciparum. Cell Signal. 2016 Mar;28(3):125-135. |
| Additional Infomation | Calmidazolium chloride is the organic choride salt of calmidazolium. It has a role as a calmodulin antagonist and an apoptosis inducer. It contains a calmidazolium. |
Solubility Data
| Solubility (In Vitro) | DMSO : 100 mg/mL (145.41 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.02 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 (3.02 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 | 1.4541 mL | 7.2706 mL | 14.5412 mL | |
| 5 mM | 0.2908 mL | 1.4541 mL | 2.9082 mL | |
| 10 mM | 0.1454 mL | 0.7271 mL | 1.4541 mL |