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.
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- 分子式: C22H23F3N4O4
- 分子量:464.44
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保管条件:
Please store the product under the recommended conditions in the Certificate of Analysis.
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生物活性
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化学情報
- 純度とドキュメンテーション
- 参考文献
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Help & FAQs
DNA/RNA Synthesis アイソフォーム固有の製品をすべて表示
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生物活性
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Polθ |
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.
化学情報
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分子量 464.44
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分子式 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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輸送条件
Room temperature in continental US; may vary elsewhere.
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保管条件
Please store the product under the recommended conditions in the Certificate of Analysis.
純度とドキュメンテーション
参考文献
Calculators
濃度 (開始) × 体積 (開始) = 濃度 (終了) × 体積 (終了)
Polθ-IN-12 関連分類
HY-187358 関連分類
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