1,4-噻吩并二氮杂*-2,5-二酮通过 MCR（II）： Gewald 和 Ugi 脱保护-环化策略的支架跳跃。
1,4-Thienodiazepine-2,5-diones via MCR (II): scaffold hopping by Gewald and Ugi-deprotection-cyclization strategy.
机构信息
Department of Pharmaceutical Sciences, School of Pharmacy, University of Pittsburgh, Pittsburgh, PA 15261, USA.
出版信息
Chem Biol Drug Des. 2010 Aug;76(2):130-41. doi: 10.1111/j.1747-0285.2010.00990.x. Epub 2010 Jun 9.
Abstract
A second scaffold of 1,4-thienodiazepine-2,5-diones was discovered and is synthetically accessible from Gewald 2-aminothiophenes via Ugi-Deprotection-Cyclization (UDC) strategy. This approach yielded hybrid peptidomimetic diazepine structures with six points of diversity introduced from readily available starting materials. A virtual compound library (N = 50 000) was generated and evaluated for chemical space distribution and drug-like properties.
摘要
发现了第二个 1,4-噻二氮杂二酮支架，并且可以通过 Gewald 2-氨基噻吩通过 Ugi-去保护-环化 (UDC) 策略合成。该方法从易得的起始原料中引入了六个多样性点，得到了混合的肽模拟二氮杂环庚烷结构。生成并评估了虚拟化合物文库（N = 50000）的化学空间分布和类药性。
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