BAY-707
Based on 1 Customer Validation
BAY-707, a chemical probe, is a substrate-competitive, highly potent and selective inhibitor of MTH1(NUDT1) with an IC50 of 2.3 nM. BAY-707 has a good pharmacokinetic (PK) profile to other MTH1 compounds and is well-tolerated in mice, but shows a clear lack of in vitro or in vivo anticancer efficacy.
Para uso exclusivo en investigación. No vendemos a pacientes.
- Pureza : 99.64%
- No. CAS: 2109805-96-9
- Fòrmula: C15H20N4O2
- Peso molecular:288.34
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month
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
Descripciòn
IC50 & Target
IC50:2.3 nM (MTH1/NUDT1)[1]
Cellular Effect
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Cell Line
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Type | Value | Description | References |
|---|---|---|---|---|
| A549 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human A549 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human A549 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| HeLa | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human HeLa cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human HeLa cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| HMEC | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against HMEC cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against HMEC cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| MCF7 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human MCF7 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human MCF7 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| MDA-MB-231 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human MDA-MB-231 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human MDA-MB-231 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| NCI-H358 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human NCI-H358 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human NCI-H358 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| NCI-H460 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human NCI-H460 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human NCI-H460 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| SW480 | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human SW480 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human SW480 cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
| U2OS | GI50 |
>30 μM
Compound: Chemical Probe: BAY-707
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Cytotoxicity against human U2OS cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
Cytotoxicity against human U2OS cells assessed as cell growth inhibition incubated for 144 hrs by alamarblue staining based assay
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[PMID: 28679043] |
In Vitro
BAY-707 demonstrates a superior cellular target engagement with an EC50 of 7.6 nM, in agreement with its higher enzymatic potency (IC50=2.3 nM)[1]. BAY-707 demonstrates a high cell permeability cell permeability in the Caco-2 assay with a efflux ratio of 288 nm/s[1]. BAY-707 shows an overall favorable physicochemical profile and promising in vitro pharmacokinetic properties with high metabolic stability in both human microsomes(0.29L/h/kg,Fmax=78%) and rat hepatocytes (0.54L/h/kg,Fmax=87%) [1]. BAY-707 (0-30 μM; 24 hours) has no antiproliferative effects in HMEC, HeLa and SW-480 cells[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 2109805-96-9
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Appearance Solid
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Peso molecular 288.34
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Fòrmula C15H20N4O2
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Color White to yellow
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SMILES
O=C(NCC)C(N1)=CC2=C1N=CC=C2N3CCOC[C@@H]3C
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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 6 months -20°C 1 month
Solvente y solubilidad
In Vitro:
DMSO : 100 mg/mL (346.81 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
In Vivo:
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 (8.67 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.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (8.67 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 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
In Vivo Dissolution Calculator
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 (278 KB)
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SDS (396 KB)
- English - EN (396 KB)
- Français - FR (396 KB)
- Deutsch - DE (396 KB)
- Norwegian - NO (396 KB)
- Español - ES (396 KB)
- Swedish - SV (396 KB)
- Italian - IT (396 KB)
- Korean - KR (396 KB)
- Portuguese - PT (396 KB)
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Instrucciones de manejo (2659 KB)
Referencias
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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 3.4681 mL | 17.3406 mL | 34.6813 mL | 86.7032 mL |
| 5 mM | 0.6936 mL | 3.4681 mL | 6.9363 mL | 17.3406 mL | |
| 10 mM | 0.3468 mL | 1.7341 mL | 3.4681 mL | 8.6703 mL | |
| 15 mM | 0.2312 mL | 1.1560 mL | 2.3121 mL | 5.7802 mL | |
| 20 mM | 0.1734 mL | 0.8670 mL | 1.7341 mL | 4.3352 mL | |
| 25 mM | 0.1387 mL | 0.6936 mL | 1.3873 mL | 3.4681 mL | |
| 30 mM | 0.1156 mL | 0.5780 mL | 1.1560 mL | 2.8901 mL | |
| 40 mM | 0.0867 mL | 0.4335 mL | 0.8670 mL | 2.1676 mL | |
| 50 mM | 0.0694 mL | 0.3468 mL | 0.6936 mL | 1.7341 mL | |
| 60 mM | 0.0578 mL | 0.2890 mL | 0.5780 mL | 1.4451 mL | |
| 80 mM | 0.0434 mL | 0.2168 mL | 0.4335 mL | 1.0838 mL | |
| 100 mM | 0.0347 mL | 0.1734 mL | 0.3468 mL | 0.8670 mL |
BAY-707 Related Classifications
HY-112081 Related Classifications
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