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Cat. No.: HY-189419

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AO65

AO65 is a TDP1 inhibitor (IC₅₀ = 0.80 μM) that acts by inhibiting tyrosyl-DNA phosphodiesterase 1 to repair TOP1-mediated DNA damage. AO65 is used for TDP1-related DNA repair research.

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CAS No.: 859658-37-0
Formule: C₂₂H₁₆BrNO₆
Masse moléculaire:470.27

Stockage:

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

AO65 Chemical Structure

CAS No.: 859658-37-0

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Use of MCE Products

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

Activité biologique
- Description
- In Vitro
Chemical Information
Pureté et documentation
Références
Calculators
Help & FAQs
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Activité biologique

Description

Voir tous les produits spécifiques à Isoform Phosphodiesterase (PDE) :

In Vitro

AO65 (100 μM; 30 kinetic cycles at 1 min intervals) is a potent TDP1 inhibitor with an IC₅₀ of 0.80 μM in a fluorescence quenching-based kinetic assay^[1].
AO65 binds within the HKN catalytic domain of TDP1, with a favorable MM-GBSA binding free energy of 24.73 kcal mol⁻¹, forms hydrogen bonds and salt bridges with key residues, and exhibits favorable electronic properties, including a frontier orbital energy gap of 10.00 eV^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Related Protocols :

Genotoxicity/Mutagenicity Study

Chemical Information

CAS No. 859658-37-0
Masse moléculaire 470.27
Formule C₂₂H₁₆BrNO₆
SMILES

BrC(C=C1)=CC=C1C2=COC3=CC(O4)=C(C=C32)C(C)=C(CC(NCC(O)=O)=O)C4=O
Livraison

Room temperature in continental US; may vary elsewhere.
Stockage

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

Pureté et documentation

Instruction de manipulation (2659 KB)

Références

[1]. Zeng H, et al. Discovery of a potent TDP1 inhibitor through machine learning-driven predictive modeling combined with structure-based virtual screening and experimental validation. RSC advances. 2026 Sep 03;16(40):47155-47170.

Calculators

Calculateur de molarité

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

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Volume Volume

Molecular Weight Molecular Weight

Calculateur de dilution

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

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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.

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100 mg

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