S-023-0996
S-023-0996 is an orally active EZH2/EGFR dual-target inhibitor. S-023-0996 inhibits EZH2 catalytic function and EGFR kinase activity, with IC50 values of 2.41 nM and 42.18 nM, respectively. S-023-0996 exhibits selective cytotoxicity against tumor cells and inhibits TNBC cell migration and invasion. S-023-0996 inhibits TNBC primary tumor growth and metastasis in vivo. S-023-0996 can be used for research on triple-negative breast cancer (TNBC).
For research use only. We do not sell to patients.
- Formula: C49H60N8O6
- Molecular Weight:857.05
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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
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
IC50 & Target
[1]|
EGFR 42.18 nM (IC50) |
EZH2 2.41 nM (IC50) |
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| HCC1806 | IC50 |
8.45 μM
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Antiproliferative activity against human HCC1806 TNBC cells assessed by SRB assay.
Antiproliferative activity against human HCC1806 TNBC cells assessed by SRB assay.
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42642931 |
| MDA-MB-231 | IC50 |
6.19 μM
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Antiproliferative activity against human MDA-MB-231 TNBC cells assessed by SRB assay.
Antiproliferative activity against human MDA-MB-231 TNBC cells assessed by SRB assay.
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42642931 |
| MDA-MB-468 | IC50 |
4.25 μM
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Antiproliferative activity against human MDA-MB-468 TNBC cells assessed by SRB assay.
Antiproliferative activity against human MDA-MB-468 TNBC cells assessed by SRB assay.
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42642931 |
| 4T1 | IC50 |
6.99 μM
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Antiproliferative activity against murine 4T-1 TNBC cells assessed by SRB assay.
Antiproliferative activity against murine 4T-1 TNBC cells assessed by SRB assay.
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42642931 |
| Vero | IC50 |
>100 μM
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Antiproliferative activity against african green monkey Vero cells assessed by SRB assay with IC50 >100 μM.
Antiproliferative activity against african green monkey Vero cells assessed by SRB assay with IC50 >100 μM.
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42642931 |
In Vitro
S-023-0996 (10 μM) stabilizes EZH2 and EGFR in CETSA in MDA-MB-468 cells; selectively reduces p-EGFR (Y1068) in EGF-stimulated MDA-MB-231 cells[1].
S-023-0996 (1-2.5 μM; 72 h) maintains dual-target inhibition of EZH2 and EGFR in TNBC cells[1].
S-023-0996 (1-2.5 μM; 24 h) reduces MDA-MB-231 invasion in the Transwell assay[1].
S-023-0996 (24 h) most effectively inhibits HCC1806 TNBC cell migration in the wound healing assay[1].
S-023-0996 (5-10 μM) reduces the viability of TNBC PDO-46 and PDO-47 organoids, with stronger cytotoxicity at 10 μM[1].
S-023-0996 reduces nascent protein synthesis and decreases puromycin incorporation in MDA-MB-231 cells more effectively than Tazemetostat (HY-13803) + Gefitinib (HY-50895) in the HPG assay[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:TNBC cells
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Concentration:1 μM; 2.5 μM
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Incubation Time:72 h
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Result:Showed dual-target EZH2 and EGFR inhibition and tumor cell-selective cytotoxic activity.
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Cell Line:MDA-MB-231 cells
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Concentration:1 μM; 2.5 μM
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Incubation Time:24 h
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Result:Resulted in reduced invasion compared with control cells and compared with tazemetostat and gefitinib individually.
Parmacokinetics
| Species | Dose | Route | F |
|---|---|---|---|
| Mice[1] | 100 mg/kg | s.c. | 19.81 % |
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:NSG (female, 4-6 weeks old, MDA-MB-231 Chili-Luc cells (5 × 106) resuspended in 100 μL PBS mixed with Matrigel in a 1:1 ratio)[1]
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Dosage:100 mg/kg
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Administration:s.c.; QOD (every other day); starting day 36 for 24 days
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Result:Produced 69% tumor growth inhibition compared with control.
Mean terminal tumor volume was reduced by 268.9 mm3 versus control and by 88.63 mm3 versus the Taz + Gef combination.
Mean terminal tumor weight differed by 0.3062 g versus vehicle.
Reduced metastatic burden compared with the Taz + Gef combination by whole-body bioluminescence imaging in MDA-MB-231 tumor-bearing NSG mice.
- Scratch/Wound-Healing Migration Assay
- Mammalian live/dead viability and cytotoxicity staining
- Cell migration
- Neural Crest/Neuronal Cell Migration Explant Assay
- Patient-Derived Orthotopic Xenograft (PDOX)
- Breast Cancer Modeling
- Cell Viability Determination by MTT Colorimetric Assay
- Kinase activity and phosphorylation assays
- Cell Cytotoxicity Assay
- Zigmond Chamber Chemotaxis Assay
- Under-Agarose Cell Migration Assay
- Transwell/Boyden Chamber Migration Assay
- Patient-Derived Xenograft (PDX)
- 3D Collagen/Hydrogel Matrix Migration Assay
- Cell invasion
- Protocol for Kinase activity and phosphorylation assays
- Subcutaneous Cell-Line-Derived Xenograft
- Cell-Exclusion Zone Migration Assay
- Dunn/Insall Chamber Chemotaxis Assay
- Orthotopic Cell-Line Xenograft
Chemical Information
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Molecular Weight 857.05
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Formula C49H60N8O6
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SMILES
O=C1C(CNC(C2=CC(CN3CCN(CCOCCOC4=CC5=C(NC6=CC=CC(C#C)=C6)N=CN=C5C=C4OC)CC3)=CC(N(C7CCOCC7)CC)=C2C)=O)=C(C)C=C(C)N1
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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)
S-023-0996 Related Classifications
HY-189760 Related Classifications
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