3052008-10-0
3052008-10-0
Chemical Structure
AChE/BChE-IN-20
- CAS No.: 3052008-10-0
- Formula:C20H20Cl2N4O6
- Molecular Weight:483.30
InChIKey: FXWGRMNXYIHVJG-UHFFFAOYSA-M
SMILES: CC(C)(C1=CC=[N+](C=C1)C2=CN=C(C([N+]([O-])=O)=C2)NC3=CC=C(C=C3)Cl)C.O=Cl(=O)([O-])=O
Biological Activity: AChE/BChE-IN-20 (compound 3m) is an acetylcholinesterase (AChE, IC50=34.81 μM) and butylcholinesterase (BChE, IC50=20.66 μM) inhibitor, which has been demonstrated to have affinity for key enzyme pockets and favorable interaction profiles by molecular docking and kinetic simulations, and can be used in the study of Alzheimer's disease[1].
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AChE/BChE-IN-20 | AChE/BChE-IN-20 (compound 3m) is an acetylcholinesterase (AChE, IC50=34.81 μM) and butylcholinesterase (BChE, IC50=20.66 μM) inhibitor, which has been demonstrated to have affinity for key enzyme pockets and favorable interaction profiles by molecular docking and kinetic simulations, and can be used in the study of Alzheimer's disease. | |||||||||||||||||||||
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References
Keywords
