XJ-4-85
XJ-4-85 is a covalent activator and precursor compound targeting PFKL (EC50=56 μM in human PFKL). XJ-4-85 activates glycolysis, increases FBP production and glycolytic flux, and enhances LPS-stimulated proinflammatory cytokine release in macrophages. XJ-4-85 causes long-chain acylcarnitine accumulation, metabolic stress, and cytotoxicity through the release of the active payload XJ-4-119 targeting CPT2. XJ-4-85 exhibits broad and selective cytotoxicity across multiple cancer cell lines and is useful for melanoma research.
For research use only. We do not sell to patients.
- CAS No.: 3111620-80-2
- Formula: C31H28F4N4O4S
- Molecular Weight:628.64
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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]|
CPT-2 |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HEK-293T | IC50 |
141 nM
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Engagement of PFKL in HEK293T cells assessed by gel-based competitive activity-based protein profiling (ABPP) with TH211 probe after 1 h pre-incubation with XJ-4-85 and 2 h incubation with probe.
Engagement of PFKL in HEK293T cells assessed by gel-based competitive activity-based protein profiling (ABPP) with TH211 probe after 1 h pre-incubation with XJ-4-85 and 2 h incubation with probe.
|
s41589-026-02289-9 |
| THP-1 | IC50 |
5.02 μM
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Cytotoxicity against human THP-1 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human THP-1 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
|
s41589-026-02289-9 |
| Jurkat | IC50 |
4.17 μM
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Cytotoxicity against human Jurkat cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human Jurkat cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| HepG2 | IC50 |
2.65 μM
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Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human HepG2 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| A549 | IC50 |
5.25 μM
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Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human A549 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| B16-F10-luc2 | IC50 |
2.28 μM
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Cytotoxicity against mouse B16-F10-Luc2 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against mouse B16-F10-Luc2 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| MDA-MB-231 | IC50 |
3.35 μM
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Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| MOLM-14 | IC50 |
2.72 μM
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Cytotoxicity against human MOLM-14 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human MOLM-14 cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| SH-SY5Y | IC50 |
4.42 μM
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Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human SH-SY5Y cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| HEK-293T | IC50 |
11.08 μM
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Cytotoxicity against human HEK293T cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human HEK293T cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| MCF-10A | IC50 |
10.15 μM
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Cytotoxicity against human MCF-10A cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against human MCF-10A cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
| MEF | IC50 |
8.23 μM
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Cytotoxicity against mouse MEF cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
Cytotoxicity against mouse MEF cells assessed as reduction in cell viability incubated for 48 hrs by CellTiter-Glo luminescence assay.
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s41589-026-02289-9 |
In Vitro
XJ-4-85 binds to PFKL in HEK293T cells with an IC50 of 141 nM[1].
XJ-4-85 (5 μM; 1 h) treatment supports the activation of PFKL and the increase of glycolytic flux in B16-F10-Luc2 cells[1].
XJ-4-85 (5 μM; 2 h) activates endogenous PFKL within cells, leading to elevated intracellular FBP levels[1].
Treatment with XJ-4-85 (5 μM; 2 h) leads to the accumulation of intracellular glycolytic intermediates[1].
XJ-4-85 (5 μM; 2 h) causes the accumulation of long-chain acylcarnitines in B16-F10-Luc2 cells, indicating that XJ-4-85 treatment inhibits CPT2[1].
XJ-4-85 (5 μM; 2 h) exerts broad cellular effects beyond metabolic reprogramming in B16-F10-Luc2 cells, affecting key signaling pathways[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:THP-1, Jurkat, HepG2, A549, B16-F10-Luc2, MDA-MB-231, MOLM-14, SH-SY5Y, HEK293T, MCF-10A, MEF
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Concentration:Indicated concentrations
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Incubation Time:48 h
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Result:Induce cytotoxicity with IC50 values of 5.02 μM (THP-1), 4.17 μM (Jurkat), 2.65 μM (HepG2), 5.25 μM (A549), 2.28 μM (B16-F10-Luc2), 3.35 μM (MDA-MB-231), 2.72 μM (MOLM-14), 4.42 μM (SH-SY5Y), 11.08 μM (HEK293T), 10.15 μM (MCF-10A), and 8.23 μM (MEF).
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:C57BL/6J (male, 6-8 weeks old)[1]
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Dosage:25 mg/kg; 50 mg/kg
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Administration:i.p.; daily; 2 weeks
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Result:Significantly controlled B16-F10-Luc2 tumor outgrowth at 25 mg/kg and 50 mg/kg.
In PFKL KO versus WT tumors treated with 25 mg/kg, mice implanted with PFKL KO cells had significantly larger (~5-fold) tumors after 9 days compared with WT (1,237 mm3 versus 254 mm3).
Loss of CPT2 significantly reduced (~2-fold) but did not completely abolish sensitivity to XJ-4-85.
Chemical Information
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CAS No. 3111620-80-2
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Molecular Weight 628.64
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Formula C31H28F4N4O4S
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SMILES
FC1=CC=C(/C(C2=CC=C(F)C(F)=C2)=C3CCN(CCCCC4=CN(S(=O)(C5=CC=C(OCO6)C6=C5)=O)N=N4)CC\3)C=C1F
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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
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
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