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Human mutT homolog (MTH1) is a nucleotide pool sanitizing enzyme that cleaves oxidized nucleotides (dNTPs) to prevent incorporation of damaged bases during DNA replication. Cancer cells rely on MTH1 activity in order to avoid cell death. TH588 is an MTH1 inhibitor (IC50 = 5 nM) with improved metabolic stability over TH287 (Cay-18132). It selectively kills cancer cell lines (IC50s = 2.48-6.37 µM) without significant cytotoxicity towards primary or immortalized cells (IC50s = >20 µM) and demonstrates >1,000-fold selectivity for MTH1 over the related nudix hydrolase protein family members MTH2, NUDT5, NUDT12, NUDT14, and NUDT16, as well as other proteins with known nucleoside triphosphate pyrophosphatase activity (dCTPase, dUTPase, and ITPA). At 30 mg/kg, TH588 induces incorporation of oxidized dNTPs in cancer cells, leading to DNA damage and cell death in B-RafV600E melanoma, SW480 colorectal, or MCF-7 breast tumor mouse xenografts.Formal Name: N4-cyclopropyl-6-(2,3-dichlorophenyl)-2,4-pyrimidinediamine. CAS Number: 1609960-31-7. Molecular Formula: C13H12Cl2N4. Formula Weight: 295.2. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 25 mg/mL, DMF:PBS(pH 7.2)(1:1): 0.5 mg/mL, DMSO: 20 mg/mL, Ethanol: 2 mg/mL. lambdamax: 297 nm. SMILES: NC1=NC(NC2CC2)=CC(C3=CC=CC(Cl)=C3Cl)=N1. 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). InChi Key: PNMYJIOQIAEYQL-UHFFFAOYSA-N.
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