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新型硫试剂用于模块化合成spiro[2.3]hexanes和含有异原子的类似物:合成,应用和评估作为生物异构体

Philipp Natho¹, Annarita Vicenti¹, Fabrizio Mastrolorito¹

¹Department of Pharmacy-Drug Sciences, University of Bari "A. Moro", Via E. Orabona 4, Bari, 70125, Italy.

Angewandte Chemie (International ed. in English)

|December 10, 2025

概括

研究人员开发了一种模块化方法,用于合成新型的spir[2.3]hexane化合物. 这些应变分子在药物化学中显示出作为生物异构体的前景,具有计算和体外验证.

科学领域:

药用化学医学化学
有机合成有机合成
计算化学的计算化学

背景情况:

螺旋 heterocycles 在药物化学中作为生物异构体有价值.
进入spiro[2.3]hexane支架是有限的.
需要新的支架来扩大药物发现的可能性.

研究的目的:

开发一个模块化合成路径,以多样化spiro[2.3]hexane类似物.
为了探索以前开发不足的5-oxa-1-azaspiro[2.3]hexane和1,5-diazaspiro[2.3]hexane基因. 为了探索以前开发不足的5-oxa-1-azaspiro[2.3]hexane和1,5-diazaspiro[2.3]hexane基因.
评估这些新型支架的生物异构潜力.

主要方法:

使用了新型的循环butan,oxetane和azetidine替代的硫盐.
采用了约翰逊 - 科里 - 柴科夫斯基类型的反应与各种电友 (基,碳基,伊米因).
进行了全面的计算和in silico预测评估,通过体外实验验证.

主要成果:

实现了对九种不同的螺旋[2.3]素类似物进行模块化访问.
成功合成了以前开发不足的5-oxa-1-azaspiro[2.3]hexane和1,5-diazaspiro[2.3]hexane基因.
通过计算和体外分析证明了显著的生物异构体潜力.

结论:

开发的合成策略提供了有效的访问有价值的螺旋[2.3] 六架.
这些新型化合物代表了药物化学的有希望的构建块.
这项研究证实了这些螺旋环作为潜在的生物异构体的实用性.

关键词:

亚兹提丁胺是一种亚兹提丁胺.循环butanes 是一个循环butanes.异循环是指异循环的.氧乙氧乙氧乙氧乙螺旋[2.3] 六化物硫盐是一种硫盐.综合方法论的合成方法.

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