BChE-IN-50
BChE-IN-50 is an orally active human butyrylcholinesterase (hBChE) inhibitor with an IC50 of 0.28 μM and a Ki of 0.78 μM. As a ROS inhibitor, BChE-IN-50 protects nerve cells from toxic damage induced by hydrogen peroxide and Aβ1-42, and alleviates Aβ-induced cognitive impairment in mice. BChE-IN-50 can be used for the research of Alzheimer's disease.
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- CAS No.: 3132777-83-1
- 화학식: C24H20F2N4O
- 분자량:418.44
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보관:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
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hBCHE 0.28 μM (IC50) |
hBCHE 0.78 μM (Ki) |
BChE-IN-50 (compound W3) potently and selectively inhibits human butyrylcholinesterase with an IC50 of 0.28 μM and a selectivity index > 357 over human acetylcholinesterase[1].
BChE-IN-50 binds to the substrate-binding pocket of human butyrylcholinesterase with a total binding free energy of -54.38 kcal/mol, but does not occupy the acyl-binding pocket of the enzyme[1].
BChE-IN-50 acts as a mixed-type human butyrylcholinesterase inhibitor with a Ki of 0.78 μM, an α value of 3.1, and a Ki' of 2.4 μM[1].
BChE-IN-50 (1-100 μM; 24 h) exhibits low in vitro cytotoxicity to HT22, BV2, and SH-SY5Y cells[1].
BChE-IN-50 (1-10 μM; 2 h pre-incubation, 24 h H2O2 exposure) protects BV2 and SH-SY5Y cells from H2O2-induced oxidative damage in a concentration-dependent manner[1].
BChE-IN-50 (1-10 μM; 2 h pre-incubation, 24 h Aβ1-42 exposure) protects SH-SY5Y cells from Aβ1-42-induced damage in a concentration-dependent manner[1].
BChE-IN-50 (1-5 μM; 2 h pre-incubation, 24 h LPS/Aβ1-42 exposure) significantly reduces LPS-induced ROS production in BV2 cells and Aβ1-42-induced ROS production in SH-SY5Y cells at concentrations of 1 and 5 μM[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:Mouse hippocampal neuronal cells (HT22), mouse microglial cells (BV2), human neuroblastoma cells (SH-SY5Y)
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Concentration:1, 5, 10, 20, 50, 100 μM
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Incubation Time:24 h
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Result:Maintained cell survival rates above 90% across all three cell lines at concentrations ranging from 1 to 20 μM, with no significant inhibition of cell proliferation.
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Cell Line:mouse microglial cells (BV2), human neuroblastoma cells (SH-SY5Y)
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Concentration:1, 5, 10 μM
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Incubation Time:2 h pre-incubation, 24 h H2O2 exposure
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Result:Protected BV2 and SH-SY5Y cells from H2O2-induced oxidative damage in a concentration-dependent manner, significantly increasing cell viability at concentrations of 1, 5, and 10 μM.
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Cell Line:mouse microglial cells (BV2), human neuroblastoma cells (SH-SY5Y)
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Concentration:1, 5, 10 μM
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Incubation Time:2 h pre-incubation, 24 h Aβ1-42 exposure
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Result:Protected SH-SY5Y cells from Aβ1-42-induced damage in a concentration-dependent manner, restoring cell viability to nearly 100% at concentrations of 5 and 10 μM.
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Kunming mice (male, 15-18 g, intracerebroventricular injection of Aβ1-42 oligomers to induce cognitive impairment)[1]
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Dosage:10 mg/kg
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Administration:p.o.; daily; 12 days
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Result:Significantly shortened the escape latency to the target platform and the swimming distance to the platform in the Morris water maze test, restoring cognitive function to nearly normal levels.
Caused no significant changes in mouse body weight during the experimental period.
Chemical Information
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CAS No. 3132777-83-1
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분자량 418.44
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화학식 C24H20F2N4O
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SMILES
FC1=CC=CC=C1C(N/C(NC2=CC=C(F)C=C2)=N/CCC3=CNC4=C3C=CC=C4)=O
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선적
Room temperature in continental US; may vary elsewhere.
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보관
Please store the product under the recommended conditions in the Certificate of Analysis.
순도&문서
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)