4-chloro-N-[(4-cyanophenyl)methyl]-5-methylthiophene-2-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 4-chloro-N-[(4-cyanophenyl)methyl]-5-methylthiophene-2-carboxamide
• 化学式: C₁₄H₁₁ClN₂OS
• 分子量: 290.8
• InChiKey: KSRLSKLWFLMQIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

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

  公开号：US20140200213A1

  公开（公告）日：2014-07-17

  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 each of the 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胺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，其中公式中所示的每个变量如本文所定义。本发明的新型化合物可用作BACE抑制剂和/或用于治疗和预防与之相关的各种病理。还披露了包含一种或多种这样的化合物（单独和与一种或多种其他活性剂的组合）的制药组合物以及其制备和使用方法，包括治疗阿尔茨海默病。
• US9181236B2
  申请人：——

  公开号：US9181236B2

  公开（公告）日：2015-11-10