An isofagomine analogue with an amidine group in the 1,6-position.

IF 2.9 3区 综合性期刊 Q1 MULTIDISCIPLINARY SCIENCES Royal Society Open Science Pub Date : 2025-02-19 eCollection Date: 2025-02-01 DOI:10.1098/rsos.241877
I Caroline Vaaland Holmgard, Idd Andrea Christensen, Ljupcho Pejov, Monika Moreń, Nikolai Westlund, Tereza Cristina Santos Evangelista, Magne O Sydnes, Finn L Aachmann, Óscar López, Emil Lindbäck
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Abstract

The synthesis of an isofagomine analogue with an amidine group in the 1,6-position is described. Density functional theory calculations showed that this compound has a remarkably different charge distribution compared with isofagomine. This may explain why the amidine is a poor glycosidase inhibitor (IC50 > 50 µM against all tested enzymes) compared with isofagomine.

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在1,6位上有氨基的异麦哥胺类似物。
描述了具有1,6位氨基基团的异胍胺类似物的合成。密度泛函理论计算表明,该化合物与异戊二胺具有明显不同的电荷分布。这可能解释了为什么与异麦戈胺相比,该脒是一种较差的糖苷酶抑制剂(对所有测试酶的IC50 ~ 50µM)。
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来源期刊
Royal Society Open Science
Royal Society Open Science Multidisciplinary-Multidisciplinary
CiteScore
6.00
自引率
0.00%
发文量
508
审稿时长
14 weeks
期刊介绍: Royal Society Open Science is a new open journal publishing high-quality original research across the entire range of science on the basis of objective peer-review. The journal covers the entire range of science and mathematics and will allow the Society to publish all the high-quality work it receives without the usual restrictions on scope, length or impact.
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