2-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-bromo-3H-isoindol-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-bromo-3H-isoindol-1-one
• 化学式: C₂₁H₂₁BrFN₃O₃S
• 分子量: 494.4
• InChiKey: SERIDBXYYFBUPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Wu Wen-Lian

  公开号：US20140128382A1

  公开（公告）日：2014-05-08

  The present invention discloses certain iminothiazine compounds and mono- and dioxides thereof, including compounds Formula (I): and tautomers and stereoisomers thereof, and pharmaceutically acceptable salts of said compounds, said tautomers and said stereoisomers, wherein each of variables shown in the formula are as defined herein. The compounds of the invention may be 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 uses, including Alzheimer's disease, are also disclosed.

  本发明揭示了某些亚胺噻唑化合物及其单体和二氧化物，包括化合物公式（I）：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，其中公式中所示的每个变量如本文所定义。本发明的化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理学。本发明还揭示了包括一种或多种此类化合物（单独和与一种或多种其他活性剂组合）的制药组合物，以及其制备和用途的方法，包括阿尔茨海默病。