WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 406659
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.
MedKoo Cat#: 406659
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
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
1: Saleh A, GÃ¶kturk 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.