BQU57
Based on 1 Customer Validation
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.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza: 98.47%
- No. CAS: 1637739-82-2
- Fòrmula: C16H13F3N4O
- Peso molecular:334.30
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Actividad biológica
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| NCI-H2122 | IC50 |
2.2 μM
Compound: 40
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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
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[PMID: 27825764] |
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.
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Cell Line:Primary rat nucleus pulposus (NP) cells
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Concentration:5 μM, 10 μM
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Incubation Time:24 h
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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.
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.
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Animal Model:C57BL/6J mice (male, 8-week-old) with lumbar instability-induced intervertebral disc degeneration[2]
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Dosage:1 mg/kg and 5 mg/kg (dissolved in 0.9% saline)
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Administration:Intraperitoneal injection daily for 6 weeks
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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.
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Animal Model:NSG mice (female, 6-8-week-old) with orthotopic MDA-MB-231 TNBC xenografts[3]
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Dosage:50 mg/kg (dissolved in DMSO)
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Administration:Intraperitoneal injection 3×/week until tumor resection criteria met (average 21 days)
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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.
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Animal Model:FVB/N mice (female, 6-8-week-old) with MVT1 murine TNBC orthotopic tumors[3]
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Dosage:50 mg/kg (dissolved in DMSO)
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Administration:Intraperitoneal injection 3×/week for 21 days
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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.
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Animal Model:NSG mice (female, 11-week-old) with TNBC patient-derived xenografts (PDX-TM00096)[3]
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Dosage:50 mg/kg (dissolved in DMSO)
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Administration:Intraperitoneal injection 3×/week for 24 days
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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
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No. CAS 1637739-82-2
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Appearance Solid
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Peso molecular 334.30
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Fòrmula C16H13F3N4O
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Color Light yellow to yellow
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SMILES
NC1=C(C#N)C(C(C(C)=NN2C)=C2O1)C3=CC=C(C(F)(F)F)C=C3
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Solvente y solubilidad
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.
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.
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.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- 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.
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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%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
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (283 KB)
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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)
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Instrucciones de manejo (2659 KB)
Referencias
[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]
Complete Stock Solution Preparation Table
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.
| 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 |
BQU57 Related Classifications
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