SMILES:
COC1=CC2=C(CN(CC2)C(=O)\C=C\C3=C([N](C)C4=NC=CC=C34)C5=CC=CC=C5)C=C1OC
Chemical Structure
Check the
SIS3
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (E)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-methyl-2-phenylpyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one | |
|---|---|---|
| CAS Number | 1009104-85-1 | |
| Molecular Formula |
C28H27N3O3 |
|
| Molecular Weight (MW) | 453.53 | |
| SMILES | COC1=CC2=C(CN(CC2)C(=O)\C=C\C3=C([N](C)C4=NC=CC=C34)C5=CC=CC=C5)C=C1OC | |
| InChIKey | IJYPHMXWKKKHGT-VAWYXSNFSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
91 mg/mL
(200.64 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 91 mg/mL |
| Water | Insoluble |
| DMSO |
91 mg/mL
(200.64 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 91 mg/mL |
| Water | 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.