Cat. No.: HY-12814

TH588

2 Cited Publications

Customer Review

Based on 2 publication(s) in Google Scholar

TH588 is first-in-class nudix hydrolase family inhibitor that potently and selectively engage and inhibit the MTH1 (IC₅₀= 5 nM).

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

Purity: 99.20%
CAS No.: 1609960-31-7
Formula: C₁₃H₁₂Cl₂N₄
Molecular Weight:295.17

Storage:

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

TH588 Chemical Structure

CAS No.: 1609960-31-7

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

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

Biological Activity
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Publications (2)
Solvent & Solubility
- In Vitro
- In Vivo
Purity & Documentation
References
Help & FAQs
Classifications
Bioz

Biological Activity

Description

TH588 is first-in-class nudix hydrolase family inhibitor that potently and selectively engage and inhibit the MTH1 (IC₅₀= 5 nM).

IC₅₀ & Target

IC50: 5 nM (MTH1)^[1]

All DNA/RNA Synthesis Isoforms :

Cellular Effect

Cell Line	Type	Value	Description	References
A549	GI₅₀	3.3 μM Compound: 1; TH588	Antiproliferative activity against human A549 cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis Antiproliferative activity against human A549 cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis	[PMID: 26878898]
A549	GI₅₀	4 μM Compound: TH588	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	3.8 μM Compound: TH588	Antiproliferative activity against human HeLa cells assessed as reduction in cell growth incubated for 72 hrs by resazurin dye based fluorescent assay Antiproliferative activity against human HeLa cells assessed as reduction in cell growth incubated for 72 hrs by resazurin dye based fluorescent assay	[PMID: 31077996]
HeLa	GI₅₀	4.2 μM Compound: TH588	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	3.2 μM Compound: TH588	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	3.5 μM Compound: TH588	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]
MCF7	GI₅₀	4 μM Compound: 1; TH588	Antiproliferative activity against human MCF7 cells assessed as cell growth inhibition incubated for 7 days by Hoechst 33342 dye based cell counting analysis Antiproliferative activity against human MCF7 cells assessed as cell growth inhibition incubated for 7 days by Hoechst 33342 dye based cell counting analysis	[PMID: 26878898]
MDA-MB-231	GI₅₀	6.3 μM Compound: TH588	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	EC₅₀	3.11 μM Compound: TH588	Induction of DNA double strand breaks in human NCI-H358 cells assessed as increase in gamma-H2AX expression at 0.005 to 12 micromol/L incubated for 72 hrs by high content analysis Induction of DNA double strand breaks in human NCI-H358 cells assessed as increase in gamma-H2AX expression at 0.005 to 12 micromol/L incubated for 72 hrs by high content analysis	[PMID: 28679043]
NCI-H358	GI₅₀	2.3 μM Compound: 1; TH588	Antiproliferative activity against human NCI-H358 cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis Antiproliferative activity against human NCI-H358 cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis	[PMID: 26878898]
NCI-H358	GI₅₀	4.9 μM Compound: TH588	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	7.1 μM Compound: TH588	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	EC₅₀	9.7 μM Compound: TH588	Cytotoxicity against human SW480 cells assessed as reduction in cell viability incubated for 72 hrs by celltiter glo assay Cytotoxicity against human SW480 cells assessed as reduction in cell viability incubated for 72 hrs by celltiter glo assay	[PMID: 32184970]
SW480	GI₅₀	5.3 μM Compound: TH588	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	EC₅₀	5.6 μM Compound: TH588	Cytotoxicity against human U2OS cells assessed as reduction in cell viability incubated for 72 hrs by celltiter glo assay Cytotoxicity against human U2OS cells assessed as reduction in cell viability incubated for 72 hrs by celltiter glo assay	[PMID: 32184970]
U2OS	GI₅₀	2.6 μM Compound: TH588	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]
U2OS	GI₅₀	3 μM Compound: 1; TH588	Antiproliferative activity against human U2OS cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis Antiproliferative activity against human U2OS cells assessed as cell growth inhibition incubated for 5 days by Hoechst 33342 dye based cell counting analysis	[PMID: 26878898]

In Vitro

TH588 (2-10μM; 7-10 days) selectively and effectively kills U2OS, HeLa, MDA-MB-231, MCF-7, SW480, and SW620 cells with IC₅₀s of 1.38, 0.83, 1.03, 1.08, 1.72, 0.8 μM^[1].

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

Cell Viability Assay^[1]

Cell Line:

U2OS, HeLa, MDA-MB-231, MCF-7, SW480, SW620, VH10, HDFn cells
Concentration:

2, 4, 6, 8, 10 μM
Incubation Time:

7-10 days
Result:

Selectively and effectively killed U2OS, HeLa, MDA-MB-231, MCF-7, SW480, and SW620 cells with IC₅₀s of 1.38, 0.83, 1.03, 1.08, 1.72, 0.8 μM, but was less toxic to several primary or immortalized cells.

In Vivo

TH588 (30 mg/kg; s.c.; once daily for 35 days) reduces tumour growth in SW480 xenograft cancer model^[1].

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

Animal Model:

5-6 weeks female SCID mice (SW480 xenograft cancer model)^[1]
Dosage:

30 mg/kg
Administration:

Subcutaneous injection; once daily for 35 days
Result:

Reduced tumour growth in SW480 xenograft cancer model.

Chemical Information

CAS No. 1609960-31-7
Appearance Solid
Molecular Weight 295.17
Formula C₁₃H₁₂Cl₂N₄
Color White to off-white
SMILES

NC1=NC(C2=CC=CC(Cl)=C2Cl)=CC(NC3CC3)=N1
Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Publications (2)

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Journal Impact Factor

Biochim Biophys Acta Mol Basis Dis

MTH1 inhibition synergizes with ROS-inducing agents to trigger cervical cancer cells undergoing parthanatos. [Abstract]

2024 Apr 22;1870(5):167190. PMID: 38657912
J Mol Med (Berl)

Combination of PARP inhibitor and temozolomide to suppress chordoma progression. [Abstract]

2019 Aug;97(8):1183-1193. PMID: 31201471

Solvent & Solubility

In Vitro:

DMSO : 16 mg/mL (54.21 mM; Need ultrasonic and warming; 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

3.3879 mL

16.9394 mL

33.8788 mL

5 mM

0.6776 mL

3.3879 mL

6.7758 mL

10 mM

0.3388 mL

1.6939 mL

3.3879 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.

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 (8.47 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 (8.47 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 (8.47 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 (277 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)
- Korean - KR (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]. Gad H, et al. MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool. Nature. 2014 Apr 10;508(7495):215-21. [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	3.3879 mL	16.9394 mL	33.8788 mL	84.6970 mL
	5 mM	0.6776 mL	3.3879 mL	6.7758 mL	16.9394 mL
	10 mM	0.3388 mL	1.6939 mL	3.3879 mL	8.4697 mL
	15 mM	0.2259 mL	1.1293 mL	2.2586 mL	5.6465 mL
	20 mM	0.1694 mL	0.8470 mL	1.6939 mL	4.2348 mL
	25 mM	0.1355 mL	0.6776 mL	1.3552 mL	3.3879 mL
	30 mM	0.1129 mL	0.5646 mL	1.1293 mL	2.8232 mL
	40 mM	0.0847 mL	0.4235 mL	0.8470 mL	2.1174 mL
	50 mM	0.0678 mL	0.3388 mL	0.6776 mL	1.6939 mL

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TH588

Targeted Diversity Library

Human Metabolite Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Mass Spectrometry Human Metabolite Library

Cell Cycle/DNA Damage Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Publications Citing Use of MedChemExpress (MCE) TH588

All DNA/RNA Synthesis Isoforms

Biological Activity

Chemical Information

Publications (2)

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TH588

Targeted Diversity Library

Human Metabolite Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Mass Spectrometry Human Metabolite Library

Cell Cycle/DNA Damage Compound Library

Anti-Cancer Compound Library

Anti-Aging Compound Library

Publications Citing Use of MedChemExpress (MCE) TH588

All DNA/RNA Synthesis Isoforms

Biological Activity

Chemical Information

Publications (2)

Solvent & Solubility

Purity & Documentation

References

Help & FAQs

Complete Stock Solution Preparation Table

TH588 Related Classifications

HY-12814 Related Classifications