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Chemical structure of Werner syndrome RecQ helicase-IN-4

GC73195

Werner syndrome RecQ helicase-IN-4

Also known as 2-[2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-N-[2-methyl-4-(trifluoromethyl)phenyl]acetamide

Werner syndrome RecQ helicase-IN-4 is a potent and orally active werner syndrome recQ helicase (WRN) inhibitor with an IC50 value of 0·06 µM

ChemicalCAS2869954-53-8MW666.65FormulaC32H33F3N8O5
CAS number
2869954-53-8
Molecular weight
666.65
Formula
C32H33F3N8O5
Solubility
DMSO ： 125 mg/mL (187·50 mM; Need ultrasonic)
InChIKey
FLRLAYBOOSONEK-UHFFFAOYSA-N
Catalogue number
GC73195
Brand
GLPBIO
Computed properties PubChem CID 166140592 · XLogP 4 · TPSA 146 Ų · H-bond donors 2
XLogP
4
TPSA
146 Ų
H-bond donors
2
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
48

SMILES CCC1=C(C(=O)N2C(=NC(=N2)C3=CCOCC3)N1CC(=O)NC4=C(C=C(C=C4)C(F)(F)F)C)N5CCN(CC5)C(=O)C6=C(C=CC=N6)O

Computed descriptors from PubChem (CID 166140592), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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