Polθ-IN-12
Polθ-IN-12 is a DNA polymerase θ (PolQ) polymerase domain inhibitor with a human pIC50 of 8.3. Polθ-IN-12 binds to the allosteric pocket of the PolQ polymerase domain, forming salt bridge interactions with residues Arg-2347 and Arg-2419. Polθ-IN-12 displays improved human metabolic stability and high kinetic solubility at pH 7.4. Polθ-IN-12 shows low CACO-2 permeability and acts as a modest efflux substrate.
For research use only. We do not sell to patients.
- Formula: C22H23F3N4O4
- Molecular Weight:464.44
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
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Biological Activity
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Chemical Information
- Protocols
- Purity & Documentation
- References
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Biological Activity
Description
IC50 & Target
[1]|
Polθ |
In Vitro
Polθ-IN-12 (Z-isomer, compound 38) potently inhibits purified PolQ polymerase domain activity with a pIC50 of 8.3, driven by salt bridge interactions with Arg-2347 and Arg-2419, and exhibits a high lipophilic ligand efficiency of 7.9[1].
Polθ-IN-12 shows improved metabolic stability in human hepatocytes, with a clearance rate of 8 mL/min/106 cells[1].
Polθ-IN-12 exhibits high kinetic solubility (>100 μM) at pH 7.4[1].
Polθ-IN-12 has low permeability in Caco-2 cells (apical-to-basolateral Papp = 1.8 × 10-6 cm/s) and functions as a modest efflux substrate with an efflux ratio of 3.6[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.
Chemical Information
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Molecular Weight 464.44
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Formula C22H23F3N4O4
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SMILES
O=C(O)CO/N=C1CN(C2=NC(C)=CC(C(F)(F)F)=C2)[C@H](C(N(C)C3=CC=CC(C)=C3)=O)C\1
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Protocols
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Transepithelial/transendothelial electrical resistance assay
TEER measures electrical resistance across epithelial or endothelial monolayers cultured on permeable supports, and the readout reflects ionic conductance through the cell barrier, especially the paracellular pathway regulated by junctional integrity. TEER can be measured without destroying the monolayer and is commonly used before or during transport, permeability, barrier-disruption, and barrier-maturation experiments. TEER values are influenced by biological maturation and technical conditions; reported factors include temperature, medium formulation, passage number, electrode geometry, membrane properties, and junctional length during early monolayer maturation. Therefore, TEER should be interpreted with blank-insert subtraction, area normalization, repeated readings, and, when possible, orthogonal barrier readouts such as FITC-dextran flux or tight-junction staining.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Polθ-IN-12 Related Classifications
HY-187358 Related Classifications
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