SMILES:
CC(C)N(C(=O)N1N=NN(C1=O)C2=C(F)C=CC=C2F)C3=CC=C(C=C3OC4=CC=CC=C4)C(O)=O
Chemical Structure
Check the
IPI-9119
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | 4-[[4-(2,6-difluorophenyl)-5-oxotetrazole-1-carbonyl]-propan-2-ylamino]-3-phenoxybenzoic acid | |
|---|---|---|
| CAS Number | 1346564-56-4 | |
| Molecular Formula |
C24H19F2N5O5 |
|
| Molecular Weight (MW) | 495.43 | |
| SMILES | CC(C)N(C(=O)N1N=NN(C1=O)C2=C(F)C=CC=C2F)C3=CC=C(C=C3OC4=CC=CC=C4)C(O)=O | |
| InChIKey | VYXOFKWKPKVNID-UHFFFAOYSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
99 mg/mL
(199.82 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 33 mg/mL |
| Water | Insoluble |
| DMSO |
99 mg/mL
(199.82 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 25 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.