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.
For research use only. We do not sell to patients.
- CAS No.: 859658-37-0
- Formula: C22H16BrNO6
- Molecular Weight:470.27
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Biological Activity
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Chemical Information
- Protocols
- Purity & Documentation
- References
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Help & FAQs
Biological Activity
Description
In Vitro
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.
Chemical Information
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CAS No. 859658-37-0
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Molecular Weight 470.27
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Formula C22H16BrNO6
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SMILES
BrC(C=C1)=CC=C1C2=COC3=CC(O4)=C(C=C32)C(C)=C(CC(NCC(O)=O)=O)C4=O
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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.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
AO65 Related Classifications
HY-189419 Related Classifications
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Keywords
- AO65
- 859658-37-0
- AO 65
- AO-65
- Phosphodiesterase (PDE)
- MM-GBSA binding free energy
- HKN catalytic domain
- TOP1-mediated DNA damage
- salt bridges
- hydrogen bonds
- computationally identified candidate compounds
- TDP1 inhibitor
- fluorescence quenching-based kinetic assay
- frontier orbital energy gap
- tyrosyl-DNA phosphodiesterase 1
- Inhibitor
- inhibitor
- inhibit