TH588

• CAS: 1609960-31-7
• Catalog Number: ACM1609960317
• Category: Inhibitors
• Molecular Weight: 295.17
• Molecular Formula: C13H12Cl2N4
• 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.
• Synonyms: TH588; TH-588; TH 588
• IUPAC Name: N4-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine
• Canonical SMILES: NC1=NC(C2=CC=CC(Cl)=C2Cl)=CC(NC3CC3)=N1
• InChI: 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
• Solubility: Soluble in DMSO, not in water
• Appearance: Solid powder
• Shelf Life: >2 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Alternative CAS: 1640282-30-9 (HCl); 1609960-31-7
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 52.90; H, 4.10; Cl, 24.02; N, 18.98
• Exact Mass: 294.0439
• HS Tariff Code: 2934.99.9001
• Shipping: 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.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).