SML1069

TH287 hydrochloride

≥98% (HPLC)

• Synonym(s): 6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine hydrochloride
• Empirical Formula (Hill Notation): C₁₁H₁₀Cl₂N₄ · HCl
• CAS Number: 1609960-30-6
• Molecular Weight: 305.59
• NACRES: NA.77
• PubChem Substance ID: 329825648
• UNSPSC Code: 12352200
• MDL number: MFCD28127273
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• Quality Segment: 100
• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 5 mg/mL, clear (warmed)
• storage temp.: 2-8°C
• SMILES string: ClC1=CC=CC(C2=NC(N)=NC(NC)=C2)=C1Cl.Cl
• InChI: 1S/C11H10Cl2N4.ClH/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13;/h2-5H,1H3,(H3,14,15,16,17);1H
• InChI key: YBLIJWDQSUDCJU-UHFFFAOYSA-N

Description

Biochem/physiol Actions

TH287 is a potent inhibitor of human 7,8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1) with an IC₅₀ value of 0.8 nM. 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. TH287 is considered a new target for cancer therapy. TH287 is highly selective towards MTH1, with no relevant inhibition of other members of the nudix protein family. TH287 has been shown to selectively kill a variety of cancer cell lines, but is rapidly metablized, so not as useful for in vivo studies.

TH287 is a potent inhibitor of human 7,8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1).

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H318
• pcodes: P280 - P301 + P312 + P330 - P305 + P351 + P338 + P310
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1
• Storage Class: 11 - Combustible Solids
• wgk: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable