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Art. -Nr.: HY-149259

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FAK-IN-9

FAK-IN-9 (Compound 8f) is a potent and orally active FAK inhibitor with an IC₅₀ of 27.44 nM. FAK-IN-9 induces triple-negative breast cancer (TNBC) cell apoptosis.

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CAS. Nr.: 2911655-93-9
Formel: C₃₆H₃₈ClN₇O₈S
Molecular Weight:764.25

Speicherung:

Please store the product under the recommended conditions in the Certificate of Analysis.

Data Sheet (271 KB)

FAK-IN-9 Chemical Structure

CAS. Nr.: 2911655-93-9

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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Reinheit & Dokumentation
Verweise
Calculators
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

FAK-IN-9 (Compound 8f) is a potent and orally active FAK inhibitor with an IC₅₀ of 27.44 nM. FAK-IN-9 induces triple-negative breast cancer (TNBC) cell apoptosis^[1].

IC₅₀ & Target

IC50: 27.44 nM (FAK)^[1]

Cellular Effect

Cell Line	Type	Value	Description	References
MCF-10A	IC₅₀	2.401 μM Compound: 8f	Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Cytotoxicity against human MCF-10A cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36801517]
MDA-MB-157	IC₅₀	0.167 μM Compound: 8f	Antiproliferative activity against human MDA-MB-157 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-157 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36801517]
MDA-MB-231	IC₅₀	0.126 μM Compound: 8f	Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36801517]
MDA-MB-453	IC₅₀	0.159 μM Compound: 8f	Antiproliferative activity against human MDA-MB-453 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-453 cells assessed as inhibition of cell proliferation incubated for 72 hrs by MTT assay	[PMID: 36801517]

In Vitro

FAK-IN-9 (Compound 8f; 72 h) shows antiproliferative activity with IC₅₀s of 0.167±0.025, 0.126±0.012 and 0.159±0.017 μM against MDA-MB-157, MDA-MB-231 and MDA-MB-453 cells, respectively^[1].
FAK-IN-9 (1-4 μM; 72 h) leads to relatively high levels of NO production in a dose-dependent manner in MDA-MB-231 cells^[1].
FAK-IN-9 (1-4 μM; 48 h) inhibits invasion and migration of MDA-MB-231 cells^[1].
FAK-IN-9 (1-4 μM; 72 h) efficiently blocks FAK mediated-signaling pathways^[1].
FAK-IN-9 (4 μM; 72 h) inhibits the formation of focal adhesions (FAs) and stress fibers (SFs) in MDA-MB-231 cells^[1].
FAK-IN-9 (1-4 μM; 72 h) induces MDA-MB-231 cell apoptosis^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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

FAK-IN-9 (Compound 8f; 15 or 30 mg/kg; oral; once daily for 30 days) inhibits MDA-MB-231 lung metastasis in mice^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.

Chemical Information

CAS. Nr. 2911655-93-9
Molecular Weight 764.25
Formel C₃₆H₃₈ClN₇O₈S
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
Versand

Room temperature in continental US; may vary elsewhere.
Speicherung

Please store the product under the recommended conditions in the Certificate of Analysis.

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (271 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Zhang J, et al. Design, synthesis and evaluation of nitric oxide releasing derivatives of 2,4-diaminopyrimidine as novel FAK inhibitors for intervention of metastatic triple-negative breast cancer. Eur J Med Chem. 2023 Mar 15;250:115192. [Content Brief]

Calculators

Molaritätsrechner

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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100 mg

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