(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-(1-propan-2-ylindazol-5-yl)-6H-1,2,4-thiadiazin-3-amine | 1286793-34-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-(1-propan-2-ylindazol-5-yl)-6H-1,2,4-thiadiazin-3-amine
• CAS: 1286793-34-7
• 化学式: C₂₁H₂₃F₂N₅O₂S
• 分子量: 447.509
• InChiKey: XJJGAYSCRMCTGU-TZIWHRDSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Scott Jack D.

  公开号：US20120189642A1

  公开（公告）日：2012-07-26

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (a) and include tautomers, solvates, prodrugs, esters, and deuterates thereof, and pharmaceutically acceptable salts of said compounds, tautomers, solvates, prodrugs, esters, and deuterates, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, ring C, m, n, p, q, -L 1 -, -L 2 -, L 3 -, and L 4 - is selected independently and as defined herein. The compounds of the invention have, surprisingly and advantageously, improved solution stability. 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 in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimers Disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些亚硫酰嗪二氧化物化合物，包括化合物式（a）的化合物以及其互变异构体、溶剂化物、前药、酯和氘代物，以及所述化合物、互变异构体、溶剂化物、前药、酯和氘代物的药学上可接受的盐，其中每个R1、R2、R3、R4、R5、R9、环A、环B、环C、m、n、p、q、-L1-、-L2-、L3-和L4-都是独立选择并按照定义选择。本发明的化合物具有令人惊讶和有利的改进的溶液稳定性。还披露了包括一个或多个此类化合物（单独或与一个或多个其他活性剂组合）的制药组合物以及在治疗与淀粉样β（Aβ）蛋白相关的病理状况，包括阿尔茨海默病中使用它们的方法。
• US8563543B2
  申请人：——

  公开号：US8563543B2

  公开（公告）日：2013-10-22