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Chemical structure of PNR-7-02 - IBA-6

GB40327

PNR-7-02 - IBA-6

Also known as 5-[[5-chloro-1-(naphthalen-2-ylmethyl)indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

PNR-7-02 is a potent inhibitor of human DNA polymerase η (hpol η) with an IC50 value of 8 μM and exhibited 5-10-fold specificity for hpol η over replicative pols

ChemicalCAS1633660-76-0MW445.92FormulaC24H16ClN3O2S
CAS number
1633660-76-0
Molecular weight
445.92
Formula
C24H16ClN3O2S
InChIKey
YNPDEEPROJUWCY-UHFFFAOYSA-N
Catalogue number
GB40327
Brand
GLPBIO
Computed properties PubChem CID 117677111 · XLogP 5.1 · TPSA 95.2 Ų · H-bond donors 2
XLogP
5.1
TPSA
95.2 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
31

SMILES C1=CC=C2C=C(C=CC2=C1)CN3C=C(C4=C3C=CC(=C4)Cl)C=C5C(=O)NC(=S)NC5=O

Computed descriptors from PubChem (CID 117677111), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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