TH588

Name: TH588
Brand: MedChemExpress
SKU: HY-12814
Rating: 5.0 (2 reviews)

Cat. No.: HY-12814 Purity: 99.20%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

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.

TH588 Chemical Structure

CAS No. : 1609960-31-7

Size	Price	Stock	Quantity
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	USD 79	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	USD 79	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	USD 72	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 100	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 168	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 288	In-stock	Estimated Time of Arrival: December 31
100 mg	USD 528	In-stock	Estimated Time of Arrival: December 31
200 mg		Get quote
500 mg		Get quote

or Bulk Inquiry

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Customer Review

Based on 2 publication(s) in Google Scholar

Other Forms of TH588:

TH588 hydrochloride Get quote

2 Publications Citing Use of MCE TH588

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Biological Activity
Purity & Documentation
References
Customer Review

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]

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]
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]
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]
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]
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]
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]
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]

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.

Molecular Weight

295.17

Formula

C₁₃H₁₂Cl₂N₄

CAS No.

1609960-31-7

Appearance

Solid

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

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)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

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

View the 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.

Molarity Calculator
Dilution Calculator

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

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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.

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.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
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.
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.
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

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

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

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

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).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

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.

Purity & Documentation

Purity: 99.20%

Select Batch:

Data Sheet (276 KB) SDS (393 KB)

COA (251 KB) LCMS (95 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]

Complete Stock Solution Preparation Table

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

TH588 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

TH5881609960-31-7TH 588TH-588DNA/RNA SynthesisInhibitorinhibitorinhibit

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TH588

Customer Review

Other Forms of TH588:

TH588 Related Antibodies

2 Publications Citing Use of MCE TH588

Featured Recommendations

•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

Biological Activity

Purity & Documentation

References

Customer Review

TH588 Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

TH588 Related Classifications

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