Westphal Matthias V, Wolfstädter Bernd T, Plancher Jean-Marc, Gatfield John, Carreira Erick M
Laboratorium für Organische Chemie, ETH Zürich, Vladimir-Prelog-Weg 3, 8093 Zürich (Switzerland).
ChemMedChem. 2015 Mar;10(3):461-9. doi: 10.1002/cmdc.201402502. Epub 2015 Jan 28.
The tert-butyl group is a common motif in medicinal chemistry. Its incorporation into bioactive compounds is often accompanied by unwanted property modulation, such as increased lipophilicity and decreased metabolic stability. Several alternative substituents are available for the drug discovery process. Herein, physicochemical data of two series of drug analogues of bosentan and vercirnon are documented as part of a comparative study of tert-butyl, pentafluorosulfanyl, trifluoromethyl, bicyclo[1.1.1]pentanyl, and cyclopropyl-trifluoromethyl substituents.
叔丁基是药物化学中常见的结构单元。将其引入生物活性化合物时，常常伴随着不良的性质调节，如亲脂性增加和代谢稳定性降低。在药物发现过程中有几种替代取代基可供选择。在此，作为叔丁基、五氟硫烷基、三氟甲基、双环[1.1.1]戊基和环丙基三氟甲基取代基比较研究的一部分，记录了波生坦和维司力农两个系列药物类似物的物理化学数据。
