Physicochemical Properties
| Molecular Formula | C11H9NO3S |
| Molecular Weight | 235.25906 |
| Exact Mass | 235.03 |
| CAS # | 6320-51-0 |
| PubChem CID | 5373936 |
| Appearance | Light yellow to yellow solid powder |
| Density | 1.391g/cm3 |
| Index of Refraction | 1.667 |
| LogP | 2.347 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 16 |
| Complexity | 332 |
| Defined Atom Stereocenter Count | 0 |
| Chemical Name | 5-[(4-methoxyphenyl)methylidene]thiazolidine-2,4-dione |
| Synonyms | NSC 31205NSC31205NSC-31205 |
| 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 | Pim-1/2 kinase inhibitor 1 (compound D14) exhibited cytotoxicity against PC3 cells at different concentrations over a 48-hour period, with an IC <50 of 11 µM [1]. |
| Cell Assay |
Cytotoxicity assay [1] Cell Types: PC3 cells Tested Concentrations: Different concentrations Incubation Duration: 48 hrs (hours) Experimental Results: Inhibit PC3 cells, IC<50 is 11 µM. |
| References |
[1]. Inhibitors of PIM-1 Protein Kinases, Compositions and Methods for Treating Prostate Cancer. Patent US20110263664A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~250 mg/mL (~1062.65 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (8.84 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 | 4.2506 mL | 21.2531 mL | 42.5062 mL | |
| 5 mM | 0.8501 mL | 4.2506 mL | 8.5012 mL | |
| 10 mM | 0.4251 mL | 2.1253 mL | 4.2506 mL |