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 (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. Further protocols information, click here.
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.
Protocols
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Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.
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Genotoxicity/Mutagenicity Study
The bacterial reverse mutation assay detects point mutations that restore amino-acid prototrophy in auxotrophic Salmonella typhimurium or Escherichia coli tester strains; after exposure to a test article, mutagenic activity is read out as an increased number of revertant colonies on minimal agar compared with the vehicle control. The assay uses tester strains with different mutation targets so that base-substitution and frameshift mutagens can be detected, and testing is performed with and without exogenous mammalian metabolic activation because some chemicals require biotransformation to become mutagenic.
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