2-Hydroxy-2-(1-methylcyclopropyl)acetic acid | 2145878-19-7

• 英文名称: 2-Hydroxy-2-(1-methylcyclopropyl)acetic acid
• CAS: 2145878-19-7
• 化学式: C₆H₁₀O₃
• 分子量: 130.14
• InChiKey: ZAXGJBZVWDBGCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• CYSTEINE PROTEASE INHIBITORS
  申请人：Ayesa Susana

  公开号：US20130172232A1

  公开（公告）日：2013-07-04

  Compounds of the formula I wherein R 2a and R 2b are independently H, halo, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl or C 1 -C 4 alkoxy, or R 2a and R 2b together with the carbon atom to which they are attached form a C 3 -C 6 cycloalkyl; R 3 is a C 5 -C 10 alkyl, optionally substituted with 1-3 substituents independently selected from halo, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkoxy; or R 3 is a C 2 -C 4 alkyl chain with at least 2 chloro or 3 fluoro substituents; or R 3 is C 3 -C 7 cycloalkylmethyl, optionally substituted with 1-3 substituents independently selected from C 1 -C 4 alkyl, halo, C 1 -C 4 haloalkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkoxy; R 4 is C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy, C 1 -C 6 alkylamino, C 1 -C 6 dialkylamino or; R 4 is Het or Carbocyclyl, either of which is optionally substituted with 1-3 substituents R 4 is Het, carbocyclyl, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; n is 1, 2 or 3; for the use in the prophylaxis or treatment of a disorder characterised by inappropriate expression or activation of cathepsin S.

  化合物的公式为I，其中R2a和R2b独立地为H、卤素、C1-C4烷基、C1-C4卤代烷基或C1-C4烷氧基，或者R2a和R2b与它们连接的碳原子一起形成C3-C6环烷基；R3是C5-C10烷基，可选地被1-3个卤素、C1-C4卤代烷基、C1-C4烷氧基或C1-C4卤代烷氧基独立地取代；或者R3是具有至少2个氯或3个氟取代基的C2-C4烷基链；或者R3是C3-C7环烷基甲基，可选地被1-3个C1-C4烷基、卤素、C1-C4卤代烷基、C1-C4烷氧基或C1-C4卤代烷氧基独立地取代；R4是C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基、C1-C6卤代烷氧基、C1-C6烷基氨基、C1-C6二烷基氨基或者R4是Het或Carbocyclyl，它们中的任意一个可选地被1-3个取代基取代，其中R4是Het、carbocyclyl、C1-C6烷基、C1-C6卤代烷基、C1-C6烷氧基或C1-C6卤代烷氧基；n为1、2或3；用于预防或治疗由于cathepsin S不适当的表达或激活而表现出的障碍。
• US8859505B2
  申请人：——

  公开号：US8859505B2

  公开（公告）日：2014-10-14