CAS No. 1330782-76-7
Batch:
Purity:99.78
Chemical Structure
Check the
Simurosertib
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | 2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one | |
|---|---|---|
| CAS Number | 1330782-76-7 | |
| Molecular Formula |
C17H19N5OS |
|
| Molecular Weight (MW) | 341.43 | |
| SMILES | CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5 | |
| InChIKey | XGVXKJKTISMIOW-ZDUSSCGKSA-N |
Simurosertib is an orally active, selective cell division cycle 7 (CDC7) kinase inhibitor with an IC50 of <0.3 nM. It induces S-phase delay and replication stress while driving mitotic aberrations through centrosome dysregulation and chromosome missegregation. By disrupting DNA replication and cell division pathways, simurosertib exerts potent and irreversible antiproliferative effects in diverse cancer cell lines. [1]
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
68 mg/mL
(199.16 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 4 mg/mL |
| Water | Insoluble |
| DMSO |
68 mg/mL
(199.16 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
- Preheat media/saline to 37°C.
- Mix rapidly (pipette/vortex) upon addition.
- For complex mixes, always add the aqueous phase last.
- Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).
Note: Technical data last updated: Sep 1, 2026.