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TH588 hydrochloride

SIGMA/SML1096 - ≥98% (HPLC)

Synonym: N4-Cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine hydrochloride

CAS Number: 1609960-31-7 (free base)
Empirical Formula (Hill Notation): C13H12Cl2N4 · HCl
Molecular Weight: 331.63
Linear Formula: C13H12Cl2N4 · HCl
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1096-5MG 5 mg
 $184.00
1/EA		 Add To Favorites
45-SML1096-25MG 25 mg
 $696.00
1/EA		 Add To Favorites

 

assay ≥98% (HPLC)
color white to light brown
form powder
InChI 1S/C13H12Cl2N4.ClH/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);1H
InChI key FBHMEHNWFXCSKE-UHFFFAOYSA-N
Quality Level 100 
SMILES string ClC1=CC=CC(C2=NC(N)=NC(NC3CC3)=C2)=C1Cl.Cl
solubility DMSO: 5 mg/mL, clear (warmed)
storage temp. 2-8°C
Biochem/physiol Actions: 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. MTH1 hydrolyzes oxidized purine nucleoside triphosphates that might otherwise be incorporated into DNA/RNA and contribute to DNA damage. MTH1 removal of oxidized nucleotides that result from increased levels of reactive oxygen species (ROS) in fast-proliferating cancer cells helps protect cancer cells from proliferative stress and prevent cancer cell death. TH588 is considered a new target for cancer therapy. TH588 is highly selective towards MTH1, with no relevant inhibition of other members of the nudix protein family or a panel of 87 enzymes, GPCRs, kinases, ion channels and transporter. TH588 has been shown to selectively kill a variety of cancer cell lines and with in vivo activity shown for TH588 in SW480 colorectal and MCF7 breast tumour xenografts.
Biochem/physiol Actions: TH588 is a potent inhibitor of human 7,8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1).
Packaging: 5, 25 mg in glass bottle
Hazard Codes Xn
Risk Statements 22
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352200

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