HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
BTR-1 · BTR-1 ，S0307 · BTR-1, 10 mM in DMSO · 5-Benzylidene-3-ethyl rhodanine · BTR 1,Inhibitor,inhibit,Apoptosis,BTR1,BTR-1 · 5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-one · 3-Ethyl-5-benzylidene-2-thioxothiazolidin-4-one · 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
Identifiers & Physical Properties
| CAS No. | 18331-34-5 |
|---|---|
| Molecular formula | C12H11NOS2 |
| Average molar mass | 249.4 g/mol |
| Monoisotopic mass | 249.02820632 g/mol |
| SMILES | CCN1C(=O)C(=Cc2ccccc2)SC1=S |
| InChIKey | ZQDPYAPUFMILTB-UHFFFAOYSA-N |
| PubChem CID | 205607 |
| DTXSID | DTXSID201214959 |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 77.7 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 332 |
| Melting point | 150 °C |
| Boiling point | 372.8±45.0 °C(Predicted) |
| Density | 1.34±0.1 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | DMSO : 25 mg/mL (100.26 mM)Water : < 0.1 mg/mL (insoluble) |
| pKa (acidity coefficient) | -2.75±0.20(Predicted) |
| Physical state | Solid |
| Color | Light yellow to yellow |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H335 |
| GHS precautionary statements | P261-P305+P351+P338 |
Applications & Uses
Uses
BTR-1 is an active anti-cancer agent, causes S phase arrest, and affects DNA replication in leukemic cells. BTR-1 activates apoptosis and induces cell death[1].