2D Structure
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2D chemical structural formula diagram.
3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.
Check the
TPX-0046
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (3R,7S,17R)-12-fluoro-17-methyl-2,16-dioxa-8,14,19,23,24,26-hexazahexacyclo[22.3.1.03,7.08,27.010,15.021,25]octacosa-1(28),10(15),11,13,21(25),22,26-heptaen-20-one | |
|---|---|---|
| CAS Number | 2359650-19-2 | |
| Molecular Formula |
C21H21FN6O3 |
|
| Molecular Weight (MW) | 424.43 | |
| SMILES | CC1CNC(=O)C2=C3N=C4N(CC5=C(O1)N=CC(=C5)F)C6CCCC6OC4=C[N]3N=C2 | |
| InChIKey | BYYQDEOVMILBQT-XFBWCDHKSA-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 |
2 mg/mL
(4.71 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
| DMSO |
1.7 mg/mL
(4.0 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
| DMSO |
2 mg/mL
(4.71 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | Insoluble |
| DMSO |
2 mg/mL
(4.71 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous 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).
Note: Technical data last updated: Sep 1, 2026.