CAS No. 111797-22-9
Batch:
Purity:99.86
Chemical Structure
Check the
MD2-IN-1
product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.
| IUPAC Name | (E)-1-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one | |
|---|---|---|
| CAS Number | 111797-22-9 | |
| Molecular Formula |
C20H22O6 |
|
| Molecular Weight (MW) | 358.39 | |
| SMILES | COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC | |
| InChIKey | ZKYRYELHPFTZTI-SOFGYWHQSA-N |
MD2-IN-1 is a small-molecule inhibitor targeting myeloid differentiation protein 2 (MD2). By binding to MD2, it disrupts the assembly and activation of the TLR4/MD2 receptor complex, effectively preventing lipopolysaccharide-induced signaling. This target engagement blocks downstream signaling through NF-kB and MAPK pathways, subsequently reducing the expression and secretion of pro-inflammatory cytokines such as TNF-alpha and IL-6. Consequently, MD2 inhibition serves to suppress excessive innate immune responses and systemic inflammation. [1][2]
|
Concentration
Volume
Mass
|
|---|
Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
| Solvent | Solubility & Note |
|---|---|
| DMSO |
72 mg/mL
(200.89 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.) |
| Ethanol | 2 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.