Physicochemical Properties
| Molecular Formula | C16H16CL4N2O4S4 |
| Molecular Weight | 570.38 |
| Exact Mass | 567.874 |
| CAS # | 927822-86-4 |
| PubChem CID | 16047442 |
| Appearance | White to off-white solid powder |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 708.8±70.0 °C at 760 mmHg |
| Flash Point | 382.5±35.7 °C |
| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
| Index of Refraction | 1.643 |
| LogP | 6.39 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 30 |
| Complexity | 671 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | REQLACDIZMLXIC-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C16H16Cl4N2O4S4/c17-11-1-3-13(19)15(9-11)29(23,24)21-5-7-27-28-8-6-22-30(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10,21-22H,5-8H2 |
| Chemical Name | 2,5-dichloro-N-[2-[2-[(2,5-dichlorophenyl)sulfonylamino]ethyldisulfanyl]ethyl]benzenesulfonamide |
| 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 | KC7F2 (0-80 μM; 6 hours) potently reduces HIF-1α protein levels in a dose-dependent manner under hypoxic conditions; HIF-1α levels were significantly reduced at a concentration of 20 μM [Conditions [1]. KC7F2 (15-25 μM; 0-72 hours) exhibits clear dose-responsive cytotoxicity with IC50 values of approximately 15-25 μM, depending on the cell line, and this effect is more severe under hypoxic conditions. The rate at which HIF-1α protein regulation occurs is unaffected by KC7F2 [1]. While HIF-1α mRNA regulation is not inhibited by KC7F2, its protein production is [1]. The eukaryotic initiation regulator 4E-binding protein 1 (4EBP1) is regulated by KC7F2 [1]. Cell |
| Cell Assay |
Cell cytotoxicity assay [1] Cell Types: MCF7 cells, LNZ308 cells, A549 cells, U251MG cells, LN229 cells Tested Concentrations: 15–25 μM Incubation Duration: 0-72 hrs (hours) Experimental Results: Cytotoxicity is more obvious in tumors phosphorylated [1]. Cell lines compared to normal cells. Cell viability assay[1] Cell Types: LN229 Cell Tested Concentrations: 6 hrs (hours) Incubation Duration: 0 μM, 5 μM, 7.5 μM, 10 μM, 15 μM, 20 μM, 30 μM, 40 μM, 60 μM, 80 μM Experimental Results: Reduction HIF-1α protein levels were dose-dependent. |
| References |
[1]. Identification of a novel small molecule HIF-1alpha translation inhibitor. Clin Cancer Res. 2009 Oct 1;15(19):6128-6136. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 32 mg/mL (~56.10 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (4.38 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. 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 (4.38 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 | 1.7532 mL | 8.7661 mL | 17.5322 mL | |
| 5 mM | 0.3506 mL | 1.7532 mL | 3.5064 mL | |
| 10 mM | 0.1753 mL | 0.8766 mL | 1.7532 mL |