SMILES:
CN1CCN(CC1)C(C)(C)C#CC2=CC3=C(C=C2NC(=O)C=C)C(=NC=N3)NC4=CC(=C(F)C=C4)Cl
Chemical Structure
Check the
AV-412 free base
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | N-[4-(3-chloro-4-fluoroanilino)-7-[3-methyl-3-(4-methylpiperazin-1-yl)but-1-ynyl]quinazolin-6-yl]prop-2-enamide | |
|---|---|---|
| CAS Number | 451492-95-8 | |
| Molecular Formula |
C27H28ClFN6O |
|
| Molecular Weight (MW) | 507.00 | |
| SMILES | CN1CCN(CC1)C(C)(C)C#CC2=CC3=C(C=C2NC(=O)C=C)C(=NC=N3)NC4=CC(=C(F)C=C4)Cl | |
| InChIKey | ZAJXXUDARPGGOC-UHFFFAOYSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
100 mg/mL
(197.23 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 50 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.