| Field | Specification |
|---|---|
| Target | |
| Applications | |
| Molecular weight | |
| Molecular formula | C33H30F4N4O5S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
JBJ-09-063 TFA is a mutant-selective, allosteric EGFR inhibitor with IC50 values of 0.147 nM, 0.063 nM, 0.083 nM and 0.396 nM against EGFR L858R, EGFR L858R/T790M, EGFR L858R/T790M/C797S and EGFRLT/L747S, respectively. It effectively reduces phosphorylation of EGFR, Akt and ERK1/2, and it is active across both EGFR tyrosine kinase inhibitor (TKI)-sensitive and -resistant models. It can be used in research on EGFR-mutant lung cancer[1]. It is supplied as a white to off-white solid (C33H30F4N4O5S, MW 670.67) at 99.64% purity.
Physical & Chemical Properties
| Molecular Formula | C33H30F4N4O5S |
|---|---|
| Molecular Weight | 670.67 g/mol |
| Purity | 99.64% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(NC1=NC=CS1)C(C2=CC(F)=CC=C2O)N(CC3=C4C=C(C5=CC=C(C6CCN(C)CC6)C=C5)C=C3)C4=O.O=C(O)C(F)(F)F |
| Target | EGFR L858R, EGFR L858R/T790M, EGFR L858R/T790M/C797S, EGFRLT/L747S |
| Signaling Pathway | JAK/STAT Signaling; Protein Tyrosine Kinase/RTK |
| Solubility | In Vitro: DMSO: ≥ 100 mg/mL (149.10 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) * "≥" means soluble, but saturation unknown. |
| Storage | 4°C, sealed storage, away from moisture. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
EGFR L858R 0.147 nM (IC50) |
EGFR L858R/T790M 0.063 nM (IC50) |
EGFR L858R/T790M/C797S 0.083 nM (IC50) |
EGFRLT/L747S 0.396 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 the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | ≥ 100 mg/mL (149.10 mM) | use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture; avoid repeated freeze-thaw cycles.
Data provided by the manufacturer.
In Vitro
Although H3255GR cells carry an EGFR T790M mutation and are resistant to gefitinib as a single agent, JBJ-09-063 is remarkably effective at inhibiting cell growth and markedly increases apoptosis[1]. JBJ-09-063 is effective in H1975 cells that exogenously express the osimertinib-resistant mutations[1]. In Ba/F3 cells, JBJ-09-063 shows IC50s of 50 nM when used alone and 6 nM in combination with Cetuximab[2].
In Vivo
JBJ-09-063 (3 mg/kg i.v., 20 mg/kg p.o.) shows favorable pharmacokinetic properties and is stable enough to give good efficacy with oral dosing[2].
| Animal Model | Mice[2] |
|---|---|
| Dosage | 3 mg/kg for i.v., 20 mg/kg for p.o. |
| Administration | i.v. and p.o.; single dosage |
| Result | Pharmacokinetic Parameters of JBJ-09-063 in mice[2]. Cl (mL/min/kg), i.v. T1/2 (h) Vss (L/kg) F (%) AUC 8h (ng·h/mL) 15.7 2.3 2.5 15 2398 |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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