2. Vitamin D Related/Nuclear Receptor
  3. Pregnane X Receptor (PXR)
  4. 4,8-Dioxa-3H-perfluorononanoic acid

4,8-Dioxa-3H-perfluorononanoic acid is an ether-substituted polyfluoroalkyl compound and also a ligand of human pregnane X receptor (hPXR), which binds to the ligand-binding domain of hPXR. 4,8-Dioxa-3H-perfluorononanoic acid targets Arg-410, Lys-210, Lys-226, Met-323 and His-327 residues. Its binding process relies on long-range electrostatic interactions, and no significant hydrogen bonds form with hPXR residues. 4,8-Dioxa-3H-perfluorononanoic acid is used as a substitute for PFOA in Germany. 4,8-Dioxa-3H-perfluorononanoic acid is detectable in environmental matrices such as river water near fluoride production plants, accumulates in organisms including grass, deer liver and locusts, and is present in plasma samples of populations in southern Germany.

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4,8-Dioxa-3H-perfluorononanoic acid

4,8-Dioxa-3H-perfluorononanoic acid Chemische Struktur

CAS. Nr. : 919005-14-4

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4,8-Dioxa-3H-perfluorononanoic acid Related Antibodies

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Beschreibung

4,8-Dioxa-3H-perfluorononanoic acid is an ether-substituted polyfluoroalkyl compound and also a ligand of human pregnane X receptor (hPXR), which binds to the ligand-binding domain of hPXR. 4,8-Dioxa-3H-perfluorononanoic acid targets Arg-410, Lys-210, Lys-226, Met-323 and His-327 residues. Its binding process relies on long-range electrostatic interactions, and no significant hydrogen bonds form with hPXR residues. 4,8-Dioxa-3H-perfluorononanoic acid is used as a substitute for PFOA in Germany. 4,8-Dioxa-3H-perfluorononanoic acid is detectable in environmental matrices such as river water near fluoride production plants, accumulates in organisms including grass, deer liver and locusts, and is present in plasma samples of populations in southern Germany[1][2].

In Vitro

4,8-Dioxa-3H-perfluorononanoic acid (30 ns) binds to the human pregnane X receptor (hPXR) ligand binding domain with an affinity similar to PFPA and PFHxA, indicating potential agonistic activity, with Arg-410, Lys-210, and Lys-226 as key binding contributors and acidic residues Asp-205, Asp-245, and Glu-321 destabilizing binding[1].
4,8-Dioxa-3H-perfluorononanoic acid accumulates in grass from Gendorf, Germany, with mean concentrations between 0.06 and 0.16 ng/g[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

4,8-Dioxa-3H-perfluorononanoic acid Related Antibodies
Molekulargewicht

378.07

Formel

C7H2F12O4
CAS. Nr.
Appearance

Liquid (Density: 1.739±0.06 g/cm3)

Color

Colorless to light yellow

SMILES

O=C(C(F)(C(OC(F)(C(F)(C(F)(OC(F)(F)F)F)F)F)F)F)O
Versand

Room temperature in continental US; may vary elsewhere.
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Pure form -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Reinheit & Dokumentation

Purity: ≥90.0%

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4,8-Dioxa-3H-perfluorononanoic acid Related Classifications

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Keywords:

4,8-Dioxa-3H-perfluorononanoic acid919005-14-4Pregnane X Receptor (PXR)Pregnane X ReceptorAsp-245Lys-210His-327hPXRligand binding domainMet-323Asp-205Lys-226Arg-410human pregnane X receptorInhibitorinhibitorinhibit

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