Cat. No.: HY-112081

BAY-707

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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.

For research use only. We do not sell to patients.

Purity: 99.64%
CAS No.: 2109805-96-9
Formula: C₁₅H₂₀N₄O₂
Molecular Weight:288.34

Storage:

Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 6 months , -20°C, 1 month

BAY-707 Chemical Structure

CAS No.: 2109805-96-9

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Sample (0.1mg)

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(In Japan)

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Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Bioz

Biological Activity

Description

IC₅₀ & Target

IC50:2.3 nM (MTH1/NUDT1)^[1]

All DNA/RNA Synthesis Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
HeLa	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
HMEC	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
MCF7	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
MDA-MB-231	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
NCI-H358	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
NCI-H460	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
SW480	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[PMID: 28679043]
U2OS	GI₅₀	>30 μM Compound: Chemical Probe: BAY-707	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	[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,F_max=78%) and rat hepatocytes (0.54L/h/kg,F_max=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

Bay-077 (orally adminstation; 50-250 mg/kg; 2 weeks) exhibits superior biochemical potency, cellular target engagement, and a pharmacokinetic profile to other MTH1 tool compounds, But Bay-077 exerts no anticancer efficacy either in mono- or in combination therapies in CT26 and NCI-H460 mice model^[1].
BAY-707 (orally adminstation; 50-250 mg/kg; 2 weeks) is well-tolerated in nude mice, after 7-days treatment, body weight loss does not exceed 10% ^[1].

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

Chemical Information

CAS No. 2109805-96-9
Appearance Solid
Molecular Weight 288.34
Formula C₁₅H₂₀N₄O₂
Color White to yellow
SMILES

O=C(NCC)C(N1)=CC2=C1N=CC=C2N3CCOC[C@@H]3C
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

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)

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

3.4681 mL

17.3406 mL

34.6813 mL

5 mM

0.6936 mL

3.4681 mL

6.9363 mL

10 mM

0.3468 mL

1.7341 mL

3.4681 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, 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.

Molarity Calculator

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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 (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.

Protocol 2

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.

Protocol 3

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

Solubility: ≥ 2.5 mg/mL (8.67 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

Purity & Documentation

Select Batch:

Purity: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (278 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Portuguese - PT (393 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)

References

[1]. Ellermann M, et al. Novel Class of Potent and Cellularly Active Inhibitors Devalidates MTH1 as Broad-Spectrum Cancer Target.ACS Chem Biol. 2017 Aug 18;12(8):1986-1992. [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, 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

Keywords

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BAY-707

Cell Cycle/DNA Damage Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Chemical Probe Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All DNA/RNA Synthesis Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

BAY-707

Cell Cycle/DNA Damage Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Chemical Probe Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

All DNA/RNA Synthesis Isoforms

Biological Activity

Chemical Information

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

BAY-707 Related Classifications

Cat. No.: HY-112081