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Art. -Nr.: HY-182361

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NUAK1-IN-3

NUAK1-IN-3 is a potent and selective NUAK1 inhibitor with an IC₅₀ of 0.49 nM. NUAK1-IN-3 also inhibits NUAK2 and JAK3 with IC₅₀ values of 265 and 225 nM. NUAK1-IN-3 engages Glu139 of NUAK1, forms a salt bridge between its bicyclic ring nitrogen and Asp142, and uses a fluorine atom to enhance hydrophobic binding interactions. NUAK1-IN-3 attenuates MYPT1 phosphorylation, suppresses the NUAK1-MYPT1 signaling axis, and inhibits proliferation, migration, and invasion of triple-negative breast cancer cells. NUAK1-IN-3 reverses TGF-β1-induced epithelial-mesenchymal transition (EMT) marker alterations, downregulates Snail and N-cadherin, and upregulates E-cadherin in tumor tissues. NUAK1-IN-3 suppresses tumor growth in triple-negative breast cancer xenograft models. NUAK1-IN-3 can be used for the research of triple-negative breast cancer.

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CAS. Nr.: 3097515-05-1
Formel: C₃₀H₃₅ClFN₇O₆
Molecular Weight:644.09

Speicherung:

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

NUAK1-IN-3 Chemical Structure

CAS. Nr.: 3097515-05-1

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Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

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

Biologische Aktivität

Beschreibung

IC₅₀ & Target^[1]

NUAK1

0.49 nM (IC₅₀)

JAK3

225 nM (IC₅₀)

NUAK2

265 nM (IC₅₀)

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Alle JAK Isoform-spezifische Produkte anzeigen :

In Vitro

NUAK1-IN-3 (Compound 10i) potently inhibits NUAK1 with an IC₅₀ of 0.49 nM, and exhibits 459-fold and 541-fold selectivity over JAK3 (IC₅₀ = 225 nM) and NUAK2 (IC50 = 265 nM) , respectively^[1].
NUAK1-IN-3 (0-50 μM; 96 h) inhibits proliferation of BT549 and MDA-MB-231 triple-negative breast cancer cells with IC₅₀ values of 2.8 μM and 3.4 μM, respectively^[1].
NUAK1-IN-3 (1000-10000 nM; 16 h) dose-dependently attenuates MYPT1 phosphorylation in BT549 and MDA-MB-231 triple-negative breast cancer cells^[1].
NUAK1-IN-3 (1-5 μM; 24 h) dose-dependently inhibits migration of BT549 and MDA-MB-231 triple-negative breast cancer cells^[1].
NUAK1-IN-3 (3-10 μM; 24 h) dose-dependently inhibits invasion of BT549 and MDA-MB-231 triple-negative breast cancer cells, with 10 μM showing efficacy comparable to siRNA-mediated NUAK1 knockdown^[1].
NUAK1-IN-3 (1-10 μM; 24 h) dose-dependently inhibits the EMT pathway in BT549 and MDA-MB-231 triple-negative breast cancer cells by downregulating N-cadherin and Snail expression in the presence of TGF-β₁^[1].

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

Western Blot Analysis^[1]

Cell Line:

human triple-negative breast cancer BT549 cells, human triple-negative breast cancer MDA-MB-231 cells
Concentration:

1000, 3000, 5000, 10000 nM
Incubation Time:

16 h
Result:

Dose-dependently reduced phosphorylation of MYPT1 (Ser668) in both BT549 and MDA-MB-231 cells.
Confirmed direct NUAK1 target engagement and inhibition of the NUAK1-MYPT1 signaling axis.

Western Blot Analysis^[1]

Cell Line:

human triple-negative breast cancer BT549 cells, human triple-negative breast cancer MDA-MB-231 cells
Concentration:

1, 5, 10 μM (in the presence of 20 ng/mL TGF-β1)
Incubation Time:

24 h
Result:

Dose-dependently downregulated the expression of EMT markers N-cadherin and Snail in both BT549 and MDA-MB-231 cells.
Reversed TGF-β1-induced EMT alterations.

Parmacokinetics

Species	Dose	Route	T_1/2	T_max	C_max	AUC_0-t	AUC_0-∞	MRT_0-∞	CL	V_ss	F
Mice^[1]	2 mg/kg	i.v.	0.85 h	0.03 h	581 ng/mL	204 ng·h/mL	206 ng·h/mL	0.64 h	161 mL/min/kg	6.20 L/kg	/
Mice^[1]	6 mg/kg	p.o.	1.69 h	0.08 h	45.6 ng/mL	96.6 ng·h/mL	103 ng·h/mL	2.37 h	/	/	16.6 %
Mice^[1]	60 mg/kg	p.o.	1.21 h	0.194 h	809 ng/mL	768 ng·h/mL	783 ng·h/mL	1.52 h	/	/	12.6 %
Mice^[1]	60 mg/kg	i.p.	0.773 h	0.194 h	7177 ng/mL	5947 ng·h/mL	5950 ng·h/mL	0.620 h	/	/	95.9 %

In Vivo

NUAK1-IN-3 (Compound 10i) (60-100 mg/kg; i.p.; daily; 16 days) dose-dependently inhibits MDA-MB-231 triple-negative breast cancer xenograft growth in NCG mice^[1].

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

Animal Model:

NCG mice (female, 4 weeks old, triple-negative breast cancer subcutaneous xenograft model)^[1]
Dosage:

60 mg/kg; 100 mg/kg
Administration:

i.p.; daily; 16 days
Result:

Achieved 70.93% tumor growth inhibition (TGI) at 60 mg/kg.
Achieved 83.55% TGI at 100 mg/kg.
Significantly reduced tumor volumes and weights relative to vehicle control at both doses.
Increased E-cadherin expression in tumor sections relative to vehicle control.
Reduced N-cadherin expression in tumor sections relative to vehicle control.
Caused no overt toxicity, significant body weight loss, or histopathological abnormalities in heart, liver, spleen, or kidneys.

Chemical Information

CAS. Nr. 3097515-05-1
Molecular Weight 644.09
Formel C₃₀H₃₅ClFN₇O₆
SMILES

[H][C@@]12[C@@H](CO[C@@]1([C@@H](CO2)OC3=NC(NC4=CC=C(C(NC(C5=CN(N=C5)C)=O)=C4)OC[C@@]67CCCN6C[C@@H](C7)F)=NC=C3Cl)[H])OC
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

Handling Instructions (2659 KB)

Verweise

[1]. Li S, et al. Structure-Based Design of Potent and Highly Selective NUAK1 Inhibitors by Exploiting a Unique Glutamate Switch for the Prevention of Tumor Growth, Migration, and Invasion. J Med Chem. Published online March 19, 2026. [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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Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- In Vitro
- In Vivo
Chemical Information
Reinheit & Dokumentation
Verweise

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NUAK1-IN-3

Alle AMPK Isoform-spezifische Produkte anzeigen

Alle JAK Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Reinheit & Dokumentation

Verweise

Calculators

Help & FAQs

NUAK1-IN-3 Related Classifications

HY-182361 Related Classifications