TH588
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 406659

CAS#: 1609960-31-7

Description: TH588 is a potent inhibitor of human 7,8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1) with an IC50 value of 5 nM and good metabolic stability. Cancers have dysfunctional redox regulation resulting in reactive oxygen species production, damaging both DNA and free dNTPs. The MTH1 protein sanitizes oxidized dNTP pools to prevent incorporation of damaged bases during DNA replication. TH588 a first-in-class nudix hydrolase family inhibitor that potently and selectively engages and inhibits the MTH1 protein in cells. Protein co-crystal structures demonstrate that the inhibitor binds in the active site of MTH1.


Chemical Structure

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TH588
CAS# 1609960-31-7

Theoretical Analysis

MedKoo Cat#: 406659
Name: TH588
CAS#: 1609960-31-7
Chemical Formula: C13H12Cl2N4
Exact Mass: 294.0439
Molecular Weight: 295.17
Elemental Analysis: C, 52.90; H, 4.10; Cl, 24.02; N, 18.98

Size Price Shipping out time Quantity
25mg USD 150 2 Weeks
50mg USD 250 2 Weeks
100mg USD 450 2 Weeks
200mg USD 650 2 Weeks
500mg USD 950 2 Weeks
1g USD 1750 2 Weeks
2g USD 2950 2 Weeks
5g USD 3950 2 Weeks
Inquire bulk and customized quantity

Pricing updated 2021-02-26. Prices are subject to change without notice.

TH588, purity > 98%, is in stock. Same day shipping after order is received. Delivery time: overnight (USA/Canada); 3-5 days (worldwide). Shipping fee: from $30.00 (USA); from $45.00 (Canada); from $70.00 (international).

Synonym: TH588; TH-588; TH 588.

IUPAC/Chemical Name: N4-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine

InChi Key: PNMYJIOQIAEYQL-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H12Cl2N4/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10/h1-3,6-7H,4-5H2,(H3,16,17,18,19)

SMILES Code: NC1=NC(C2=CC=CC(Cl)=C2Cl)=CC(NC3CC3)=N1

Appearance:
Solid powder

Purity:
>98% (or refer to the Certificate of Analysis)

Shipping Condition:
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition:
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility:
Soluble in DMSO, not in water

Shelf Life:
>2 years if stored properly

Drug Formulation:
This drug may be formulated in DMSO

Stock Solution Storage:
0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code:
2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 295.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Select a batch to recalculate based on the batch molecular weight:
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL

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1: Saleh A, Gökturk C, Warpman-Berglund U, Helleday T, Granelli I. Development and validation of method for TH588 and TH287, potent MTH1 inhibitors and new anti-cancer agents, for pharmacokinetic studies in mice plasma. J Pharm Biomed Anal. 2015 Feb;104:1-11. doi: 10.1016/j.jpba.2014.11.009. Epub 2014 Nov 15. PubMed PMID: 25459754.



Additional Information