SMILES:
OC1CCC(CC1)N2C=NC3=C(C2=N)C(=C([N]3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6
Chemical Structure
Check the
Metarrestin
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
Chemical Information
| IUPAC Name | 4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol | |
|---|---|---|
| CAS Number | 1443414-10-5 | |
| Molecular Formula |
C31H30N4O |
|
| Molecular Weight (MW) | 474.60 | |
| SMILES | OC1CCC(CC1)N2C=NC3=C(C2=N)C(=C([N]3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6 | |
| InChIKey | WSMXAUJFLWRPNT-UHFFFAOYSA-N |
How to Prepare Stock Solution?
|
Concentration
Volume
Mass
|
|---|
Solubility
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
21 mg/mL
(44.24 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).
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Note: Technical data last updated: Sep 1, 2026.