Physicochemical Properties
| Molecular Formula | C15H11CL2NOS |
| Molecular Weight | 324.22 |
| Exact Mass | 322.993 |
| CAS # | 75450-34-9 |
| PubChem CID | 2688 |
| Appearance | White to off-white solid powder |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 479.8±45.0 °C at 760 mmHg |
| Flash Point | 244.0±28.7 °C |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.640 |
| LogP | 5.02 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 20 |
| Complexity | 368 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | KQEPIRKXSUIUTH-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H11Cl2NOS/c16-9-5-6-13-11(7-9)15(20-8-14(19)18-13)10-3-1-2-4-12(10)17/h1-7,15H,8H2,(H,18,19) |
| Chemical Name | 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one |
| Synonyms | Cgp37157; Cgp-37157; Cgp 37157 |
| 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
| ln Vitro | Compound XVI, also known as CGP37157, is a strong and tailored activator of the Na+/Ca2+ exchange that, with an IC50 of 0.8 μM, prevents Na+-induced Ca2+ release from guinea pig heart mitochondria [1]. By blocking voltage-gated calcium channels, CGP37157 (10 μM) inhibits the mitochondrial Na+/Ca2+ exchanger in cortical neurons, lowers cytosolic and mitochondrial Ca2+ overload brought on by NMDA, and controls intracellular Ca2+ levels. 10 μM of CGP37157 Mango lessens the excitotoxicity caused by NMDA When CGP37157 (10 μM) and salinomycin were coupled, FaDu and HLaC79 cells' chamber sizes rose and their vitality was considerably decreased. The toxicity of tumor cells is not inhibited by salinomycin [3]. |
| References |
[1]. Structural dependency of the inhibitory action of benzodiazepines and related compounds on the mitochondrial Na+-Ca2+ exchanger. Biochem Pharmacol. 1988 Nov 15;37(22):4399-403. [2]. CGP37157, an inhibitor of the mitochondrial Na+/Ca2+ exchanger, protects neurons from excitotoxicity by blocking voltage-gated Ca2+ channels. Cell Death Dis. 2014 Apr 10;5:e1156. [3]. Effects of salinomycin and CGP37157 on head and neck squamous cell carcinoma cell lines in vitro. Mol Med Rep. 2015 Sep;12(3):4455-61. |
| Additional Infomation | 7-chloro-5-(2-chlorophenyl)-1,5-dihydro-4,1-benzothiazepin-2-one is a benzothiazepine. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 125 mg/mL (~385.54 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.71 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 (7.71 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 | 3.0843 mL | 15.4216 mL | 30.8433 mL | |
| 5 mM | 0.6169 mL | 3.0843 mL | 6.1687 mL | |
| 10 mM | 0.3084 mL | 1.5422 mL | 3.0843 mL |