| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C29H26FN5O3S |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JBJ-04-125-02 is a potent, mutant-selective, allosteric, and orally active EGFR inhibitor, with an IC50 of 0.26 nM for EGFR L858R/T790M. It can inhibit cancer cell proliferation and EGFR L858R/T790M/C797S signaling, and it has anti-tumor activities[1]. It has the molecular formula C29H26FN5O3S and a molecular weight of 543.61 g/mol.
Physical & Chemical Properties
| CAS Number | 2060610-53-7 |
|---|---|
| Molecular Formula | C29H26FN5O3S |
| Molecular Weight | 543.61 g/mol |
| SMILES | O=C(NC1=NC=CS1)[C@@H](C2=CC(F)=CC=C2O)N(CC3=C4C=C(C5=CC=C(N6CCNCC6)C=C5)C=C3)C4=O |
| Target | EGFR (L858R/T790M) |
| Signaling Pathway | JAK/STAT Signaling; Protein Tyrosine Kinase/RTK |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
EGFR (L858R/T790M) 0.26 nM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
JBJ-04-125-02 (0-1000 nM; 72 hours; H1975 cells) can inhibit proliferation of H1975 cells at low nanomolar concentrations[1]. JBJ-04-125-02 also inhibits proliferation of Ba/F3 cells stably transfected with EGFRL858R, EGFRL858R/T790M, or EGFRL858R/T790M/C797S mutations[1]. Inhibition of EGFR phosphorylation by JBJ-04-125-02 (0.01-10 μM) is examined in Ba/F3, H1975 and NIH-3T3 cells. JBJ-04-125-02 shows mutant selectivity, inhibiting mutant EGFR and downstream AKT and ERK1/2 phosphorylation[1].
Cell Proliferation Assay[1]
| Cell Line | H1975 cells |
|---|---|
| Concentration | 0 nM, 0.1 nM, 1 nM, 10 nM, 100 nM, 1000 nM |
| Incubation Time | 72 hours |
| Result | Inhibited cell proliferation of H1975 cells at low nanomolar concentrations. |
In Vivo
In EGFRL858R/T790M/C797S genetically engineered mice, JBJ-04-125-02 (50 mg/kg; oral gavage; once daily; for 15 weeks) leads to marked tumor regressions within 4 weeks of treatment[1]. After a 3 mg/kg intravenous (i.v.) dose, JBJ-04-125-02 shows a moderate half-life of 3 hours and a high AUClast (area under curve) of 728,577 min•ng/mL. A 20 mg/kg oral dose of JBJ-04-125-02 reaches an average maximal plasma concentration of 1.1 μmol/L, with an oral bioavailability of 3%[1].
| Animal Model | EGFRL858R/T790M/C797S genetically engineered mice (GEM)[1] |
|---|---|
| Dosage | 50 mg/kg |
| Administration | Oral gavage; once daily; for 15 weeks |
| Result | Led to marked tumor regressions within 4 weeks of treatment. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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