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.
Nur für Forschungszwecke. Wir verkaufen nicht an Patienten.
- CAS. Nr.: 3111620-80-2
- Formel: C31H28F4N4O4S
- Molecular Weight:628.64
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Speicherung:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biologische Aktivität
Beschreibung
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
|
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
|
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
|
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.
|
s41589-026-02289-9 |
| HepG2 | IC50 |
2.65 μM
|
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.
|
s41589-026-02289-9 |
| A549 | IC50 |
5.25 μM
|
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.
|
s41589-026-02289-9 |
| B16-F10-luc2 | IC50 |
2.28 μM
|
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.
|
s41589-026-02289-9 |
| MDA-MB-231 | IC50 |
3.35 μM
|
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.
|
s41589-026-02289-9 |
| MOLM-14 | IC50 |
2.72 μM
|
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.
|
s41589-026-02289-9 |
| SH-SY5Y | IC50 |
4.42 μM
|
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.
|
s41589-026-02289-9 |
| HEK-293T | IC50 |
11.08 μM
|
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.
|
s41589-026-02289-9 |
| MCF-10A | IC50 |
10.15 μM
|
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.
|
s41589-026-02289-9 |
| MEF | IC50 |
8.23 μM
|
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.
|
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. Further protocols information, click here.
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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. Nr. 3111620-80-2
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Molecular Weight 628.64
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Formel 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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Versand
Room temperature in continental US; may vary elsewhere.
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Speicherung
Please store the product under the recommended conditions in the Certificate of Analysis.
Protokoll
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
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Mammalian live/dead viability and cytotoxicity staining
Live/dead viability and cytotoxicity staining assays are based on the simultaneous detection of intracellular esterase activity in metabolically active (viable) cells and membrane integrity loss in non-viable cells. In commonly used dual-staining approaches, membrane-permeant fluorogenic substrates are converted by intracellular esterases into fluorescent products in live cells, while impermeant DNA-binding dyes selectively enter cells with compromised plasma membranes and label nucleic acids in dead or dying cells, enabling discrimination between viable and non-viable populations by fluorescence microscopy or flow cytometry.
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Research Protocol for Inflammation-related Diseases
The NLRP3 inflammasome is a cytosolic innate immune signaling platform that integrates priming signals and danger-signal activation to promote caspase-1 activation, maturation of IL-1β and IL-18, and gasdermin D-mediated pyroptotic cell death. The core experimental logic is to determine whether inflammatory disease phenotypes are driven by increased NLRP3 expression, ASC-containing inflammasome assembly, caspase-1 cleavage, GSDMD cleavage, and extracellular release of IL-1β/IL-18 rather than by nonspecific cell injury alone. The pathway is strongly linked to inflammation-related disease phenotypes because monosodium urate crystals activate NALP3/NLRP3 inflammasome signaling in gout-like crystal inflammation, cholesterol crystals activate NLRP3 inflammasomes in atherogenesis models, and DSS-induced intestinal inflammation has been reported to involve NLRP3 inflammasome activity. However, experimental colitis studies also show context-dependent protective effects of NLRP3 inflammasome co
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Cell Viability Determination by MTT Colorimetric Assay
The following protocol uses the MTT colorimetric assay as a classic literature-established method for assessing cell viability/metabolic activity in cultured mammalian cells. MTT[3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide] is reduced by metabolically active cells to a colored formazan product; the amount of formazan is quantified spectrophotometrically and provides an indirect measure of metabolically active viable cells. Importantly, MTT reduction reflects cellular oxidoreductase/metabolic activity rather than an absolute direct count of living cells, so changes in cellular metabolism can alter the signal independently of cell number.
Reinheit & Dokumentation
Verweise
Calculators
Konzentration (Stammlösung) × Volumen (Stammlösung) = Konzentration (Ziellösung) × Volumen (Ziellösung)