5-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5-methyl-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]-1,2-oxazole-3-carboxamide
• 化学式: C₂₁H₂₉F₃N₄O₅
• 分子量: 474.5
• InChiKey: PIVDHWILUPVHKH-JYJNAYRXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• HETEROCYCLIC COMPOUNDS HAVING ELASTASE−INHIBITING ACTIVITY AND INTERMEDIATES THEREOF
  申请人：Dainippon Pharmaceutical Co., Ltd.

  公开号：EP1473302A1

  公开（公告）日：2004-11-03

  Heterocyclic compounds represented by the general formula (I) and having elastase inhibiting activity; and intermediates for the synthesis thereof: (I) wherein R1 is a heterocyclic group represented by the general formula (II): (II) [wherein A represents the presence or absence of a benzene ring; X is oxygen, sulfur or NH; and Y is nitrogen or CH], and the heterocyclic group may be substituted with one to three substituents which may be the same or different and are selected from the group consisting of lower alkyl, lower alkoxy, and phenyl which may be substituted with optionally halogenated lower alkyl, lower alkoxy or halogeno; and R2 and R3 are each hydrogen or hydroxyl, or R2 and R3 may be united to form an oxo group, with the proviso that both are not hydrogen.

  由通式(I)表示并具有弹性蛋白酶抑制活性的杂环化合物及其合成中间体： (I) 其中 R1 是由通式(II)表示的杂环基团：(II) [其中 A 代表存在或不存在苯环；X 是氧、硫或 NH；Y 是氮或 CH]，杂环基团可被一至三个取代基取代，这些取代基可以相同或不同，选自低 级烷基、低级烷氧基和苯基组成的组，苯基可被任选卤化的低级烷基、低级烷氧基或卤代基取代；R2 和 R3 各自为氢或羟基，或 R2 和 R3 可结合形成一个氧代基团，但两者均不得为氢。
• Heterocyclic compounds having elastase-inhibiting activity and intermediates thereof
  申请人：Sato Fuminori

  公开号：US20050085424A1

  公开（公告）日：2005-04-21

  Heterocyclic compounds represented by the general formula (I) and having elastase inhibiting activity; and intermediates for the synthesis thereof: (I) wherein R 1 is a heterocyclic group represented by the general formula (II): (II) [wherein A represents the presence or absence of a benzene ring; X is oxygen, sulfur or NH; and Y is nitrogen or CH], and the heterocyclic group may be substituted with one to three substituents which may be the same or different and are selected from the group consisting of lower alkyl, lower alkoxy, and phenyl which may be substituted with optionally halogenated lower alkyl, lower alkoxy or halogeno; and R 2 and R 3 are each hydrogen or hydroxyl, or R 2 and R 3 may be united to form an oxo group, with the proviso that both are not hydrogen.

  由通式(I)表示并具有弹性蛋白酶抑制活性的杂环化合物及其合成中间体： (I) 其中 R 1 是通式(II)代表的杂环基团： (II) [其中 A 代表存在或不存在苯环；X 是氧、硫或 NH；Y 是氮或 CH]，杂环基团可被一至三个取代基取代，这些取代基可以相同或不同，选自下烷基、下烷氧基和苯基组成的组，苯基可被任选卤代的下烷基、下烷氧基或卤代物取代；以及 R 2 和 R 3 均为氢或羟基，或 R 2 和 R 3 可结合成一个氧代基团，但两者均不得为氢。
• US7067491B2
  申请人：——

  公开号：US7067491B2

  公开（公告）日：2006-06-27