country

Change Language

EN - English
FR - Français
DE - Deutsch
ES - Español
JA - 日本語
KO - 한국어

Country or Region:

United States

Product Name	Size / Unit Price	Qty

Total: USD 0.00 Checkout

Cat. No.: HY-187358

Copy Link Print Information

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

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

Polθ-IN-12 Chemical Structure

Price

Stock

Quantity

Amount: USD 0.00

* Please select Quantity before adding items.

Use of MCE Products

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
Chemical Information
Purity & Documentation
References
Calculators
Help & FAQs
Classifications
Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

Polθ

All DNA/RNA Synthesis Isoforms :

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 P_app = 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.

Chemical Information

Molecular Weight 464.44
Formula C₂₂H₂₃F₃N₄O₄
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
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Miccoli A, et al. Combining Artificial Intelligence and Human Expertise in Pursuit of Novel PolQ Inhibitors. ACS omega. 2026 Jul 28;11(29):43300-43308. [Content Brief]

Calculators

Molarity Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Dilution Calculator

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Bioz

Keywords

MOQ

Minimum order quantity

100 mg

Get Quote In-stock

Other size

Get Quote

Amount: USD 0.00

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
Chemical Information
Purity & Documentation
References

Product Name:
Cat. No.:
Quantity:
MCE Japan Authorized Agent:

Product Name:
CAS No.:
Species:
Purity:
Quantity:

Polθ-IN-12

All DNA/RNA Synthesis Isoforms