tert-butyl (2S)-4-methoxy-2-{[1-({[(3R)-5-oxotetrahydro-3-furanyl]amino}carbonyl)cyclopentyl]methyl}butanoate | 718607-73-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: tert-butyl (2S)-4-methoxy-2-{[1-({[(3R)-5-oxotetrahydro-3-furanyl]amino}carbonyl)cyclopentyl]methyl}butanoate
• 英文别名: tert-butyl (2S)-4-methoxy-2-[[1-[[(3R)-5-oxooxolan-3-yl]carbamoyl]cyclopentyl]methyl]butanoate
• CAS: 718607-73-9
• 化学式: C₂₀H₃₃NO₆
• 分子量: 383.485
• InChiKey: CHIMSXMPZATPPU-HUUCEWRRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  90.9
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] CYCLOPENTIL-SUBSTITUTED GLUTARAMIDE COMPOUNDS AS ENDOPEPTIDASEV INHIBITORS<br/>[FR] COMPOSES GLUTARAMIDE A SUBSTITUTION CYCLOPENTILE UTILISES COMME INHIBITEURS DE L'ENDOPEPTIDASE
  申请人：PFIZER LTD

  公开号：WO2004056750A1

  公开（公告）日：2004-07-08

  The invention relates to NEP inhibitors for treating cardiovascular disorders. Preferred NEP inhibitors are compounds of formula (I) wherein R1 is C,-C6alkyl, Ci-C6alkoxyC,­C3alkyl or C,-C6alkoxyC,-C6alkoxyC,-C3alkyl; R2 is hydrogen or C,-C6alkyl; L is a three 5 atom linkage selected from -CH2-X-CH2- and -CH2-CH2-X- where the right hand side of the linkage is attached to R3 and where X is oxygen, sulfur or methylene; R3 is phenyl or aromatic heterocyclyl, either of which may be independently substituted by one or more groups selected from: C1-C6alkyl, halo, haloC,-C6alkyl, C,-C6alkoxy, haloC1-C6alkoxy, C1-­C6alkylthio, haloC,-C6alkylthio and nitrile; and R4 and R5 are either both hydrogen, or one of R4 and R5 is hydrogen and the other is a biolabile ester-forming group that in the body of a patient is replaced by hydrogen.

  该发明涉及NEP抑制剂用于治疗心血管疾病。首选的NEP抑制剂是具有以下结构的化合物(I)：其中R1为C1-C6烷基，C1-C6烷氧基C1-C3烷基或C1-C6烷氧基C1-C6烷氧基C1-C3烷基；R2为氢或C1-C6烷基；L为从-CH2-X- -和- - -X-中选择的三个原子连接，其中连接的右侧连接到R3，X为氧、硫或亚甲基；R3为苯基或芳香杂环基，两者中的任何一个都可以独立地被一个或多个来自以下群的基取代：C1-C6烷基，卤素，卤代C1-C6烷基，C1-C6烷氧基，卤代C1-C6烷氧基，C1-C6烷基硫基，卤代C1-C6烷基硫基和腈基；R4和R5要么都是氢，要么R4和R5中的一个是氢，另一个是在患者体内被氢替代的生物可解脂基。