(2S)-3-(1-methylcyclopentyl)-N-(1-oxamoylcyclobutyl)-2-(propanoylamino)propanamide | 1352817-47-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: (2S)-3-(1-methylcyclopentyl)-N-(1-oxamoylcyclobutyl)-2-(propanoylamino)propanamide
• CAS: 1352817-47-0
• 化学式: C₁₈H₂₉N₃O₄
• 分子量: 351.446
• InChiKey: GEFWRZCRQUXSPE-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• [EN] NEW CATHEPSIN S PROTEASE INHIBITORS, USEFUL IN THE TREATMENT OF E.G. AUTOIMMUNE DISORDERS, ALLERGY AND CHRONIC PAIN CONDITIONS<br/>[FR] NOUVEAUX INHIBITEURS DE CATHEPSINE S PROTÉASE, UTILES DANS LE TRAITEMENT, PAR EX., DE MALADIES AUTO-IMMUNES, D'ALLERGIES ET DE DOULEURS CHRONIQUES
  申请人：MEDIVIR UK LTD

  公开号：WO2011158197A1

  公开（公告）日：2011-12-22

  Compounds of the formula (I) wherein R2a and R2b are independently H, halo, C1-C4alkyl, C1-C4haloalkyl or C1-C4alkoxy, or R2a and R2b together with the carbon atom to which they are attached form a C3-C6cycloalkyl; R3 is a C5-C10 alkyl, optionally substituted with 1-3 substituents independently selected from halo, C1-C4haloalkyl, C1-C4alkoxy, C1-C4haloalkoxy; or R3 is a C2-C4alkyl chain with at least 2 chloro or 3 fluoro substituents; or R3 is C3-C7cycloalkylmethyl, optionally substituted with 1-3 substituents independently selected from C1-C4alkyl, halo, C1-C4haloalkyl, C1-C4alkoxy, C1-C4haloalkoxy; R4 is C1-C6alkyl, C1-C6haloalkyl, C1-C6alkoxy, C1-C6haloalkoxy, C1-C6alkylamino, C1- C6dialkylamino or; R4 is Het or Carbocyclyl, either of which is optionally substituted with 1-3 substituents; 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.

  式（I）的化合物，其中R2a和R2b分别为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为C5-C10烷基，可选择地用1-3个卤素、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基取代；或者R3为至少有2个氯或3个氟取代基的C2-C4烷基链；或者R3为C3-C7环烷基甲基，可选择地用1-3个C1-C4烷基、卤素、C1-C4卤代烷基、C1-C4烷氧基、C1-C4卤代烷氧基取代；R4为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为Het或Carbocyclyl，其中任一者可选择地用1-3个取代基取代；n为1、2或3；用于预防或治疗以胰蛋白酶S的不适当表达或活化为特征的疾病。
• 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。
• Cysteine protease inhibitors
  申请人：Medivir UK Ltd

  公开号：EP2752404A1

  公开（公告）日：2014-07-09

  There is provided a process for the preparation of a compound of formula III, comprising the step of oxidising the compound of formula 2b wherein n is 2; R2a and R2b are independently H or F; R3 is 1-methylcyclopentylmethyl or 1-fluorocyclopentylmethyl; R3' is CH3 or F; R4 is C1-C6alkyl, C1-C6haloalkyl or C3-C6cycloalkyl, wherein C3-C6cycloalkyl is optionally substituted with methyl, CF3 or one or two fluoro. Compounds and processes used in the preparation of a compound of formula III are also provided.

  提供了一种制备式 III 化合物的工艺，包括氧化式 2b 化合物的步骤 其中 n 为 2；R2a 和 R2b 独立地为 H 或 F；R3 为 1-甲基环戊基甲基或 1-氟环戊基甲基；R3' 为 CH3 或 F；R4 为 C1-C6 烷基、C1-C6 卤代烷基或 C3-C6 环烷基，其中 C3-C6 环烷基任选被甲基、CF3 或一或二氟取代。还提供了用于制备式 III 化合物的化合物和工艺。
• US8859505B2
  申请人：——

  公开号：US8859505B2

  公开（公告）日：2014-10-14