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
XMD16-5
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
Chemical Information
| IUPAC Name | 2-[4-(4-hydroxypiperidin-1-yl)anilino]-11-methyl-5H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | |
|---|---|---|
| CAS Number | 1345098-78-3 | |
| Molecular Formula |
C23H24N6O2 |
|
| Molecular Weight (MW) | 416.48 | |
| SMILES | CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)NC4=CC=C(C=C4)N5CCC(CC5)O | |
| InChIKey | AGLKBEPKKDHHKY-UHFFFAOYSA-N |
How to Prepare Stock Solution?
|
Concentration
Volume
Mass
|
|---|
Solubility
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
83 mg/mL
(199.28 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 5 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).
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Note: Technical data last updated: Sep 1, 2026.