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Chemical structure of PARP11 inhibitor ITK7

GC69659

PARP11 inhibitor ITK7

Also known as 8-methyl-7-prop-1-ynyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-quinazolin-4-one

PARP11 inhibitor ITK7 (ITK7) is an effective and selective inhibitor of PARP11· It can effectively inhibit PARP11 with an IC50 value of 14 nM· PARP11 inhibitor ITK7 can be used for research on cellular localization

ChemicalCAS2411890-36-1MW322.38FormulaC17H14N4OS
CAS number
2411890-36-1
Molecular weight
322.38
Formula
C17H14N4OS
Solubility
DMSO ： 4 mg/mL (12·41 mM; ultrasonic and warming and heat to 60°C)
InChIKey
VRECINGNBPANGK-UHFFFAOYSA-N
Catalogue number
GC69659
Brand
GLPBIO
Computed properties PubChem CID 137701959 · XLogP 2.7 · TPSA 92.5 Ų · H-bond donors 1
XLogP
2.7
TPSA
92.5 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

SMILES CC#CC1=C(C2=C(C=C1)C(=O)NC(=N2)CSC3=NC=CC=N3)C

Computed descriptors from PubChem (CID 137701959), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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