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ZINC12613047
本产品不向个人销售,仅用作科学研究,不用于任何人体实验及非科研性质的动物实验。
ZINC12613047图片
CAS NO:1069521-64-7
规格:98%
分子量:442.6
包装与价格:
包装价格(元)
1mg电议
5mg电议

产品介绍
butyrylcholinesterase (BChE) inhibitor
CAS:1069521-64-7
分子式:C29H34N2O2
分子量:442.6
纯度:98%
存储:Store at -20°C

Background:

IC50: 21 nM for human BChE


ZINC12613047 is a BChE inhibitor.


Butyrylcholinesterase (BChE) is considered as a promising drug target as its levels and activity increase significantly in the late stages of Alzheimer’s disease.


In vitro: In previous study, the complex structure between ZINC12613047 and BChE revealed the molecular basis of the high affinity binding. In contrast, the pocket was comparatively smaller in AChE likely explaining why ZINC12613047 displayed low affinity. In addition, ZINC12613047 was tested at 10 μM, where it showed significant Aβ1-42-antiaggregation effects with 61.7% inhibition. The cytotoxicity profile was assessed using the human neuroblastoma SH-SY5Y cell line and the MTS assay. ZINC12613047 at 10 μM was completely noncytotoxic. Moreover, to compare neuronal death induced by Aβ1-42 with or without various concentrations of ZINC12613047, the MTS assay was performed. Results showed that incubation of SH-SY5Y cells with 5 μM Aβ1-42 led to significant toxicity; the cell-death was about 35% higher than in the control. A clear dose-response neuroprotective effect was observed when the cells were incubated with Aβ1-42 in the presence of ZINC12613047. ZINC12613047 at 10 μM could completely protect the human neuronal SH-SY5Y cells from Aβ1-42 peptide toxicity [1].


In vivo: There is no animal in vivo data reported.


Clinical trial: So far, no clinical study has been conducted.


Reference:
[1] B.  Brus, U. Kosak, S. Turk, et al. Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor. Journal of Medicinal Chemistry 57(19), 8167-8179 (2014).