Physicochemical Properties
| Molecular Formula | C22H27N3O3S.HCL |
| Molecular Weight | 449.99402 |
| Exact Mass | 449.154 |
| CAS # | 57530-40-2 |
| PubChem CID | 3044577 |
| Appearance | White to off-white solid powder |
| Boiling Point | 576.7ºC at 760mmHg |
| Flash Point | 302.6ºC |
| LogP | 5.996 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 30 |
| Complexity | 557 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | VHNXQKLWIQHSOY-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H27N3O3S.ClH/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3;/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27);1H |
| Chemical Name | ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate;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
| ln Vivo | NIK-244 (1-300 ug) injected directly into the SA node, PM preparations demonstrated negative chronotropic, negative inotropic and coronary vasodilation effects [1]. |
| References |
[1]. Comparison of cardiovascular effects of a novel class Ic antiarrhythmic agent, NIK-244, with those of flecainide in isolated canine heart preparations cross-circulated with a donor dog.Jpn J Pharmacol. 1991 May;56(1):1-12. [2]. An electrophysiological comparison of a novel class Ic antiarrhythmic agent, NIK-244 (ethacizin) and flecainide in canine ventricular muscle.Br J Pharmacol. 1989 Nov;98(3):827-32.Med Chem. 2019 Nov 6:115132. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~222.23 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.56 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 25.0 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: ≥ 2.5 mg/mL (5.56 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 25.0 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (5.56 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 25.0 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 | 2.2223 mL | 11.1114 mL | 22.2227 mL | |
| 5 mM | 0.4445 mL | 2.2223 mL | 4.4445 mL | |
| 10 mM | 0.2222 mL | 1.1111 mL | 2.2223 mL |