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Chemical structure of TH5427

GC64717

TH5427

Also known as 7-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione

TH5427 is a promising, targeted inhibitor that can be used to further study NUDT5 activity and ADP-ribose metabolism· TH5427, blocks progestin-dependent, PAR-derived nuclear ATP synthesis and subsequent chromatin remodeling, gene regulation and proliferation in breast cancer cells· NUDT5 is recently identified as a rheostat of hormone-dependent gene regulation and proliferation in breast cancer cells

ChemicalCAS2253744-56-6MW491.33FormulaC20H20Cl2N8O3
CAS number
2253744-56-6
Molecular weight
491.33
Formula
C20H20Cl2N8O3
InChIKey
QXCXMVYVUHVFLP-UHFFFAOYSA-N
Catalogue number
GC64717
Brand
GLPBIO
Computed properties PubChem CID 132472992 · XLogP 1.7 · TPSA 113 Ų · H-bond donors 1
XLogP
1.7
TPSA
113 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
33

SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CC4=NN=C(O4)C5=CC(=C(C=C5)Cl)Cl

Computed descriptors from PubChem (CID 132472992), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.