Art. -Nr.: HY-12875

BQU57

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BQU57 is a selective inhibitor of RalA/RalB small GTPases, with a binding potency (Kb) of 7.7 μM for RalB-GDP. BQU57 can block its interaction with effector proteins (such as SEC5 and EXO84), inhibiting tumor cell migration, invasion and non-adherent growth. BQU57 downregulates the NF-κB signaling pathway, reduces the expression of IL-6, IL-8 and MMP-13, and inhibits apoptosis by regulating the Bcl-2/Bax balance. BQU57 also protects the extracellular matrix by inhibiting the Ral/NF-κB pathway and can be used for the study of degenerative diseases. BQU57 exhibits significant antitumor activity in triple-negative breast cancer (TNBC) models, inhibiting orthotopic tumor growth and lung metastasis and enhancing paclitaxel chemotherapy sensitivity.

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Reinheit: 98.47%
CAS. Nr.: 1637739-82-2
Formel: C₁₆H₁₃F₃N₄O
Molecular Weight:334.30

Speicherung:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year

BQU57 Chemical Structure

CAS. Nr.: 1637739-82-2

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Biologische Aktivität
- Beschreibung
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

Alle Ras Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
NCI-H2122	IC₅₀	2.2 μM Compound: 40	Cytotoxicity against human NCI-H2122 cells under anchorage-independent condition assessed as cell growth inhibition after 10 days by nitro blue tetrazolium-based microscopic analysis Cytotoxicity against human NCI-H2122 cells under anchorage-independent condition assessed as cell growth inhibition after 10 days by nitro blue tetrazolium-based microscopic analysis	[PMID: 27825764]

In Vitro

BQU57 inhibits RalA/RalB activated H2122 and H358 lung cancer cell clones with IC₅₀s of 2.0 μM (H2122) and 1.3 μM (H358), respectively^[1].
BQU57 (5 μM and 10 μM; 24 h) reduces rat nucleus pulposus cell apoptosis and mitochondrial dysfunction and maintains extracellular matrix (ECM) metabolic balance by inhibiting IL-1β-induced nuclear factor κB (NF-κB) signaling pathway^[2].
BQU57 (50 μM; 72 h) significantly reduces triple-negative breast cancer (TNBC) cell viability, inhibited its migration and invasion ability, and reduced non-adherent growth by blocking the RalA/RalB signaling pathway^[3].

BQU57 (100 μM; 72 h) combined with Paclitaxel produced a synergistic toxic effect on TNBC cells and enhanced chemotherapy sensitivity^[3].

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

Apoptosis Analysis^[2]

Cell Line:

Primary rat nucleus pulposus (NP) cells
Concentration:

5 μM, 10 μM
Incubation Time:

24 h
Result:

Reduced IL-1β-induced apoptosis, as indicated by decreased Annexin V-positive cells (flow cytometry) and downregulated pro-apoptotic proteins (Bax, cleaved caspase-3).
Upregulated anabolic markers (aggrecan, collagen II) and downregulated catabolic markers (MMP-3, MMP-13) in Western blot analysis, confirming ECM protection.

In Vivo

BQU57 (1 mg/kg and 5 mg/kg; ip; once a day; 6 weeks) significantly alleviated lumbar instability-induced disc degeneration in rats, reduced nucleus pulposus cell apoptosis and maintained disc structural integrity^[2].
BQU57 (50 mg/kg; ip; 3 times a week; 21 days) significantly inhibited orthotopic tumor growth and lung metastasis in mice with triple-negative breast cancer (TNBC) and prolonged survival^[3].

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

Animal Model:

C57BL/6J mice (male, 8-week-old) with lumbar instability-induced intervertebral disc degeneration^[2]
Dosage:

1 mg/kg and 5 mg/kg (dissolved in 0.9% saline)
Administration:

Intraperitoneal injection daily for 6 weeks
Result:

Reduced disc height loss (X-ray analysis) and histological degeneration (Safranin O-Fast Green staining).
Decreased apoptosis (TUNEL assay) and downregulated pro-inflammatory markers (MMP-13, NF-κB p65) in nucleus pulposus tissues in Immunohistochemistry assay.

Animal Model:

NSG mice (female, 6-8-week-old) with orthotopic MDA-MB-231 TNBC xenografts^[3]
Dosage:

50 mg/kg (dissolved in DMSO)
Administration:

Intraperitoneal injection 3×/week until tumor resection criteria met (average 21 days)
Result:

Significantly reduced primary tumor growth (average volume: 385 mm³ vs. 720 mm³ in controls) and spontaneous lung metastasis (75% reduction in metastatic area). Decreased RalA/B activation and NF-κB signaling in tumor tissues in WB assay.

Animal Model:

FVB/N mice (female, 6-8-week-old) with MVT1 murine TNBC orthotopic tumors^[3]
Dosage:

50 mg/kg (dissolved in DMSO)
Administration:

Intraperitoneal injection 3×/week for 21 days
Result:

Delayed tumor progression (median survival: 42 days vs. 30 days in controls) and reduced experimental lung metastasis (bioluminescence imaging).
Revealed decreased Ki67 proliferation and increased cleaved caspase-3 apoptosis in tumors in Immunohistochemistry assay.

Animal Model:

NSG mice (female, 11-week-old) with TNBC patient-derived xenografts (PDX-TM00096)^[3]
Dosage:

50 mg/kg (dissolved in DMSO)
Administration:

Intraperitoneal injection 3×/week for 24 days
Result:

Significantly inhibited PDX tumor growth (average volume: 220 mm³ vs. 550 mm³ in controls) with minimal toxicity (body weight loss <5%).
Reduced RalA/B activation and ECM degradation markers in tumor tissues.

Chemical Information

CAS. Nr. 1637739-82-2
Appearance Solid
Molecular Weight 334.30
Formel C₁₆H₁₃F₃N₄O
Color Light yellow to yellow
SMILES

NC1=C(C#N)C(C(C(C)=NN2C)=C2O1)C3=CC=C(C(F)(F)F)C=C3
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : ≥ 100 mg/mL (299.13 mM; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

* "≥" means soluble, but saturation unknown.

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

2.9913 mL

14.9566 mL

29.9133 mL

5 mM

0.5983 mL

2.9913 mL

5.9827 mL

10 mM

0.2991 mL

1.4957 mL

2.9913 mL

Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

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)}

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

Stock Solution Working Solution

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline

Solubility: ≥ 2.5 mg/mL (7.48 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

Protocol 2

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (7.48 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (283 KB)
SDS (394 KB)
- English - EN (394 KB)
- Français - FR (394 KB)
- Deutsch - DE (394 KB)
- Norwegian - NO (394 KB)
- Español - ES (394 KB)
- Swedish - SV (394 KB)
- Italian - IT (394 KB)
- Korean - KR (394 KB)
- Portuguese - PT (394 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]. Yan C, et al. Discovery and characterization of small molecules that target the GTPase Ral. Nature. 2014 Nov 20;515(7527):443-447. [Content Brief]

[2]. Qiu X, et al. BQU57 suppresses IL-1β-induced apoptosis and extracellular matrix degradation in nucleus pulposus cells by blocking the NF-κB signaling pathway. Cell Signal. 2025 Mar 8:111729. [Content Brief]

[3]. Thies KA, et al. The small G-protein RalA promotes progression and metastasis of triple-negative breast cancer. Breast Cancer Res. 2021 Jun 12;23(1):65. [Content Brief]

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.

Complete Stock Solution Preparation Table

Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	2.9913 mL	14.9566 mL	29.9133 mL	74.7831 mL
	5 mM	0.5983 mL	2.9913 mL	5.9827 mL	14.9566 mL
	10 mM	0.2991 mL	1.4957 mL	2.9913 mL	7.4783 mL
	15 mM	0.1994 mL	0.9971 mL	1.9942 mL	4.9855 mL
	20 mM	0.1496 mL	0.7478 mL	1.4957 mL	3.7392 mL
	25 mM	0.1197 mL	0.5983 mL	1.1965 mL	2.9913 mL
	30 mM	0.0997 mL	0.4986 mL	0.9971 mL	2.4928 mL
	40 mM	0.0748 mL	0.3739 mL	0.7478 mL	1.8696 mL
	50 mM	0.0598 mL	0.2991 mL	0.5983 mL	1.4957 mL
	60 mM	0.0499 mL	0.2493 mL	0.4986 mL	1.2464 mL
	80 mM	0.0374 mL	0.1870 mL	0.3739 mL	0.9348 mL
	100 mM	0.0299 mL	0.1496 mL	0.2991 mL	0.7478 mL

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BQU57

GPCR/G Protein Compound Library

Immunology/Inflammation Compound Library

Kinase Inhibitor Library

MAPK Compound Library

NF-κB Signaling Compound Library

Anti-Cancer Compound Library

Oxygen Sensing Compound Library

Ferroptosis Compound Library

Pyroptosis Compound Library

Glutamine Metabolism Compound Library

Anti-Breast Cancer Compound Library

Anti-Lung Cancer Compound Library

Anti-Pancreatic Cancer Compound Library

Anti-Blood Cancer Compound Library

Angiogenesis-Related Compound Library

Anti-Liver Cancer Compound Library

Anti-Colorectal Cancer Compound Library

Antidepressant Compound Library

Anti-Prostate Cancer Compound Library

Chemokine Compound Library

Heterocyclic Compound Library

Pain-Related Compound Library

Membrane Protein-targeted Compound Library

Membrane Receptor-targeted Compound Library

Highly Selective Inhibitors Library

Anti-Hematopathy Compound Library

Mitophagy Compound Library

Bioactive Compound Library Max

Bioactive Compound Library

Cell Proliferation Compound Library

High-Throughput Bioactive Compound Library

Posttranslational Modification Library

Lactylation Compound Library

Alle Ras Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

BQU57 Related Classifications

HY-12875 Related Classifications