SJPYT-331
SJPYT-331 is a potent and selective PXR antagonist with an IC50 of 7.1 nM. SJPYT-331 exerts its antagonistic effect on PXR by targeting and binding to the PXR ligand-binding pocket (IC50 = 3.6 nM) and inducing conformational destabilization of the core helix α12 in the AF-2 region, thereby hindering coactivator recruitment. SJPYT-331 can be used for research on PXR-related metabolic diseases.
For research use only. We do not sell to patients.
- CAS No.: 2998548-65-3
- Formula: C26H32N4O6
- Molecular Weight:496.56
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
PXR 7.1 nM (IC50, HepG2) |
PXR-LBD 3.6 nM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HepG2 | IC50 |
7.1 nM
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Antagonistic activity against PXR activation in HepG2 cells stably expressing FLAG-PXR and CYP3A4-luciferase reporter assessed by Steadylite Plus luminescence after 24 hrs incubation.
Antagonistic activity against PXR activation in HepG2 cells stably expressing FLAG-PXR and CYP3A4-luciferase reporter assessed by Steadylite Plus luminescence after 24 hrs incubation.
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38744881 |
In Vitro
SJPYT-331 (24 h) antagonizes PXR in HepG2 cells with an IC50 of 7.1 nM and shows no agonist activity[1].
SJPYT-331 (24 h) blocks agonist-induced PXR activation in primary human hepatocytes[1].
SJPYT-331 (0.01-10 µM) does not induce CYP3A4 RNA in PHH Donors 1, 2, and 3 and reduces rifampicin-induced CYP3A4 RNA at 1 and 10 µM in Donors 1 and 2.
SJPYT-331 is inactive against FXR, LXRα, CAR, mPXR, and VDR in cell-based reporter assays.
SJPYT-331 (up to 100 µM; 24-72 h) shows no substantial cytotoxicity in HepG2, HEK293, HepaRG, or Hepa 1-6 cells.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:primary human hepatocytes
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Concentration:0.01, 0.1, 1, 10 μM (in the presence of rifampicin stimulation)
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Incubation Time:24 h
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Result:Effectively blocked rifampicin-induced overexpression of CYP3A4 mRNA and had no effect on mouse PXR, demonstrating significant receptor and species selectivity.
Chemical Information
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CAS No. 2998548-65-3
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Molecular Weight 496.56
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Formula C26H32N4O6
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SMILES
COC1=C(N2C(C)=C(N=N2)C(NC3=C(C=CC(C(OC)=O)=C3)O[C@@H](CC)CCC)=O)C=C(C=C1)OC
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
[1]. Garcia-Maldonado E, et al. Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR. Nature communications. 2024 May 14;15(1):4054. [Content Brief]
[2]. Kamaraj R, et al. Discovery of PXR antagonist MI891 and PXR degrader MI1013 and their roles in hepatic gene regulation. Journal of Medicinal Chemistry. 2025 Jul 24;68(14):14271-99. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
SJPYT-331 Related Classifications
HY-186407 Related Classifications
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