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Chemical structure of TH287 hydrochloride

GC37775

TH287 hydrochloride

Also known as 6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine;hydrochloride

TH287 hydrochloride is a potent and selective inhibitor of MTH1, with an IC50 of 0·8 nM· TH287 hydrochloride is highly selective towards MTH1, with no relevant inhibition of MTH2, NUDT5, NUDT12, NUDT14, NUDT16, dCTPase, dUTPase and ITPA at 100 μM· TH287 hydrochloride could act as a chemotherapeutic agent for cancer research

ChemicalCAS1638211-05-8MW305.59FormulaC11H11Cl3N4
CAS number
1638211-05-8
Molecular weight
305.59
Formula
C11H11Cl3N4
Solubility
Soluble in DMSO
InChIKey
YBLIJWDQSUDCJU-UHFFFAOYSA-N
Catalogue number
GC37775
Brand
GLPBIO
Computed properties PubChem CID 91826506 · TPSA 63.8 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
63.8 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18

SMILES CNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N.Cl

Computed descriptors from PubChem (CID 91826506), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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