化学
胺气处理
果糖
酶
立体化学
氢键
生物化学
肾
叔胺
转移酶
酶抑制剂
体内
功能群
结构-活动关系
效力
药代动力学
药品
双键
杂环胺
分子
药理学
作者
Zachary A. Kasun,Xiaomin Liang,Ryan Ferrao,Joshua A. Kaplan,Christopher T. Clark,Megan E. Neubig,Daniel H Byun,Shawn S. Badal,NATALIE SRODA,Tina L. Mistry,Nathaniel H. Stanley,Kirk L. Stevens,J. Logan Bachman,Jennifer R. Lo,Jennifer Loyer-Drew,Maile Velasquez,Jia Hao,Judy Mwangi,Brian Stafford,Petr Jansa
标识
DOI:10.1021/acs.jmedchem.5c02896
摘要
Ketohexokinase (KHK) is the primary enzyme involved in fructose metabolism, converting fructose to fructose-1-phosphate (F1P). KHK is implicated in diseases, including metabolic-dysfunction-associated steatotic liver disease (MASLD) and diabetic kidney disease (DKD), among others. Herein, we describe the discovery of GS-1291269, a potent, neutral KHK inhibitor. GS-1291269 has pharmacokinetic parameters in preclinical species that support once-daily dosing in humans. The high potency and favorable PK profile of GS-1291269 can be attributed to the uncommon dioxo-thietane amine functional group, which avoids potential PK liabilities associated with acidic or basic molecules yet provides a hydrogen bond donor that is critical for potency. Furthermore, GS-1291269 demonstrated liver and kidney fructose-1-phosphate (F1P) reduction in a fructose challenge model in rats.
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