| Field | Specification |
|---|---|
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C36H38ClN7O8S |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
FAK-IN-9 is a potent, orally active inhibitor of FAK, with an IC50 of 27.44 nM. It induces apoptosis in triple-negative breast cancer (TNBC) cells[1]. It has the molecular formula C36H38ClN7O8S and a molecular weight of 764.25 g/mol.
Physical & Chemical Properties
| CAS Number | 2911655-93-9 |
|---|---|
| Molecular Formula | C36H38ClN7O8S |
| Molecular Weight | 764.25 g/mol |
| SMILES | CNC(C1=C(C=CC=C1)NC2=C(C=NC(NC3=CC=C(C=C3)CC(OCCCCCCCCOC4=NO[N+]([O-])=C4S(=O)(C5=CC=CC=C5)=O)=O)=N2)Cl)=O |
| Signaling Pathway | 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
IC50: 27.44 nM (FAK)[1]
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
Against MDA-MB-157, MDA-MB-231 and MDA-MB-453 cells, FAK-IN-9 (72 h) shows antiproliferative activity, with IC50s of 0.167±0.025, 0.126±0.012 and 0.159±0.017 μM, respectively[1]. In MDA-MB-231 cells, FAK-IN-9 (1-4 μM; 72 h) leads to dose-dependent, relatively high NO production[1]. In MDA-MB-231 cells, FAK-IN-9 (1-4 μM; 48 h) inhibits invasion and migration[1]. FAK-IN-9 (1-4 μM; 72 h) effectively blocks FAK-mediated signaling pathways[1]. In MDA-MB-231 cells, FAK-IN-9 (4 μM; 72 h) inhibits formation of focal adhesions (FAs) and stress fibers (SFs)[1]. FAK-IN-9 (1-4 μM; 72 h) induces apoptosis of MDA-MB-231 cells[1].
Cell Proliferation Assay[1]
- Cell Line: MDA-MB-157, MDA-MB-231, MDA-MB-453 and MCF10A
- Concentration:
- Incubation Time: 72 h
- Result: Inhibited proliferation with IC50s of 0.167±0.025, 0.126±0.012, 0.159±0.017 and 2.401±0.131 μM against MDA-MB-157, MDA-MB-231, MDA-MB-453 and MCF10A, respectively.
Cell Invasion Assay[1]
| Cell Line | MDA-MB-231 cells |
|---|---|
| Concentration | 1, 2 and 4 μM |
| Incubation Time | 48 h |
| Result | The numbers of invasive MDA-MB-231 cells were reduced dose-dependently. |
Cell Migration Assay [1]
| Cell Line | MDA-MB-231 cells |
|---|---|
| Concentration | 1, 2 and 4 μM |
| Incubation Time | 48 h |
| Result | Remarkably block the migration of MDA-MB-231 cells in a dose-dependent manner. |
Western Blot Analysis[1]
| Cell Line | MDA-MB-231 cells |
|---|---|
| Concentration | 1, 2 and 4 μM |
| Incubation Time | 72 h |
| Result | Potently suppressed the autophosphorylation of Y397 in a dose-dependent manner. Decreased the levels of p-AKT, MMP-2 and MMP-9 dose dependently. |
Apoptosis Analysis[1]
| Cell Line | MDA-MB-231 cells |
|---|---|
| Concentration | 1, 2 and 4 μM |
| Incubation Time | 72 h |
| Result | The percentage of apoptotic MDA-MB-231 cells gradually increased ranging from 19.06% to 77.66% at 4 μM. |
In Vivo
In mice, FAK-IN-9 (15 or 30 mg/kg; oral; dosed once daily for 30 days) inhibits lung metastasis of MDA-MB-231 cells[1].
| Animal Model | BALB/c nude mice, MDA-MB-231 experimental pulmonary metastasis model[1] |
|---|---|
| Dosage | 15 or 30 mg/kg |
| Administration | Oral, once daily for 30 days |
| Result | Potently reduced the numbers of lung tumor nodules dose-dependently. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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