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
Brigatinib
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | 5-chloro-4-N-(2-dimethylphosphorylphenyl)-2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidine-2,4-diamine | |
|---|---|---|
| CAS Number | 1197953-54-0 | |
| Molecular Formula |
C29H39ClN7O2P |
|
| Molecular Weight (MW) | 584.09 | |
| SMILES | CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC | |
| InChIKey | AILRADAXUVEEIR-UHFFFAOYSA-N |
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| Ethanol | 43 mg/mL |
| DMSO |
1 mg/mL
(1.71 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | 5 mg/mL |
| DMSO |
1 mg/mL
(1.71 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| Ethanol | 10 mg/mL |
| DMSO |
3 mg/mL
(5.13 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Water | Insoluble |
| DMSO |
3 mg/mL
(5.13 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| Ethanol | 2 mg/mL |
| Water | Insoluble |
| Ethanol | 5 mg/mL |
| DMSO |
2 mg/mL
(3.42 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.) |
| 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).
Pre-aliquoted for Longevity: Solid-state aliquots offer significantly longer shelf life compared to stock solutions, ensuring maximum stability for every use.
Looking for a specific aliquot size? Reach out to your local sales representative or contact us at orders@selleckchem.com.
Note: Technical data last updated: Sep 1, 2026.