(2,3,4,5,6-pentafluorophenyl) 5-[3-[(5R)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1H-pyrrole-2-carboxylate | 1603821-74-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: (2,3,4,5,6-pentafluorophenyl) 5-[3-[(5R)-2,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1H-pyrrole-2-carboxylate
• CAS: 1603821-74-4
• 化学式: C₂₇H₂₄F₆N₄O₆S
• 分子量: 646.567
• InChiKey: MASSGSTYBRVTBF-MHZLTWQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  139
• 氢给体数：
  2
• 氢受体数：
  13

文献信息

• TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20150274716A1

  公开（公告）日：2015-10-01

  In its many embodiments, the present invention provides certain iminothiazine dioxide compounds, including compounds Formula (I): and tautomers and stereoisomers thereof, and pharmaceutically acceptable salts of said compounds, said tautomeros and said stereoisomers, wherein the middle ring (referred to herein as “ring B”) of the tricyclic substituent is an optionally substituted 5-membered ring, and each of the remaining variables shown in the formula are as defined herein. The novel compounds of the invention are useful as BACE inhibitors and/or for the treatment and prevention of various pathologies related thereto. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use, including Alzheimer's disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些亚硫酰噻唑二氧化物化合物，包括化合物式（I）的化合物及其互变异构体和立体异构体，以及所述化合物、所述互变异构体和所述立体异构体的药学上可接受的盐，其中三环取代基的中间环（在此称为“B环”）是一个可选取代的五元环，并且公式中显示的每个其余变量的定义如本文所述。本发明的新化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理学。还公开了包括一个或多个这样的化合物（单独和与一个或多个其他活性剂的组合）的制药组合物以及它们的制备和使用方法，包括阿尔茨海默病。
• TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2908825B1

  公开（公告）日：2018-04-18
• US9422277B2
  申请人：——

  公开号：US9422277B2

  公开（公告）日：2016-08-23