2D Structure
loading...
2D chemical structural formula diagram.
3D Structure
loading...
This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
AZD9496
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (E)-3-[3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid | |
|---|---|---|
| CAS Number | 1639042-08-2 | |
| Molecular Formula |
C25H25F3N2O2 |
|
| Molecular Weight (MW) | 442.47 | |
| SMILES | CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24 | |
| InChIKey | DFBDRVGWBHBJNR-BBNFHIFMSA-N |
|
Concentration
Volume
Mass
|
1 mg | 5 mg | 10 mg |
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
88 mg/mL
(198.88 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 88 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.