Molecular Formula | C15H10N2O4S3 |
Molar Mass | 378.45 |
Density | 1.60±0.1 g/cm3(Predicted) |
Boling Point | 567.3±60.0 °C(Predicted) |
Solubility | DMSO: ≥ 30 mg/mL |
Appearance | powder |
Color | yellow to orange |
pKa | -0.70±0.20(Predicted) |
Storage Condition | 2-8°C |
In vitro study | In vitro experiments, CCF642 inhibits PDI reductase activity, which is more potent than the inhibitory activity of the different structural, proven inhibitors PACMA 31 and loc14. A new covalent binding pattern of its active site CGHCK motif was found by computer modeling. CCF642 causes acute endoplasmic reticulum stress in multiple myeloma cells with apoptosis-induced calcium release. |
In vivo study | CCF642 has powerful efficacy in a syngeneic mouse model of aggressive multiple myeloma, extending the lifespan of C57BL/Kalwij mice transplanted with 5TGM1-luc myeloma. |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.642 ml | 13.212 ml | 26.424 ml |
5 mM | 0.528 ml | 2.642 ml | 5.285 ml |
10 mM | 0.264 ml | 1.321 ml | 2.642 ml |
5 mM | 0.053 ml | 0.264 ml | 0.528 ml |
biological activity | CCF642 (AC1LYELL) is a new type of protein disulfide isomerase (PDI) inhibitor with anti-myeloma activity. |
target | TargetValue protein disulfide isomerases |
Target | Value |
in vitro study | in vitro experiments, CCF642 inhibited PDI reductase activity, which is more effective than the inhibitory activity of PACMA 31 and LOC14, which have been proved to be different structures. A new covalent binding pattern of its active site CGHCK motif was found by computer modeling. CCF642 causes acute endoplasmic reticulum stress in multiple myeloma cells, accompanied by apoptosis-induced calcium release. |
in vivo study | CCF642 has a powerful effect in the synaptic mouse model of aggressive multiple myeloma, which can extend the transplantation of 5TGM1-luc C57BL/KaLwRij mice life span. |