Fig. 1 · Structure
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4,8-Dioxa-3H-perfluorononanoic acid
hPXR Ligand
4,8-Dioxa-3H-perfluorononanoic acid functions as a ligand for the human pregnane X receptor (hPXR), interacting primarily with its ligand-binding domain. This compound engages specifically with residues such as Arg-410, Lys-210, Lys-226, Met-323, and His-327 through long-range electrostatic interactions, while exhibiting minimal hydrogen bonding. Its biological activity includes potential implications for environmental health, as it has been found in various ecological matrices and is known to bioaccumulate in organisms. This compound is noteworthy for its use as a substitute for PFOA in Germany and may serve important roles in studies investigating receptor activation and environmental persistence.
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Specifications
| Manufacturer | Adooq Bioscience |
|---|---|
| Actions | Ligand / Binder |
| CAS Number | 919005-14-4 |
| Applications | hPXR Ligand |
| Formula | C7H2F12O4 |
| Molecular Weight | 378.07 |
| SMILES | O=C(C(F)(C(OC(F)(C(F)(C(F)(OC(F)(F)F)F)F)F)F)F)O |
Storage & Solubility
In Vitro Solubility
Reported Solubility
No reported solubility data are available for this product.
Preparing Stock Solutions
| Concentration | |
|---|---|
Values use four significant digits. Prepare to the final solution volume; this is not the volume of solvent to add.
Stock preparation is unavailable for this product molecular weight.
Calculated stock concentrations do not establish solvent solubility. Refer to the reported solubility data for experimental guidance.
Storage
Store powder at -20°C, keep desiccated.
In powder form, the chemical is stable for 36 months.
In solution, store at -20°C and use within 1 month to prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles.