L-Proline,N-[1-carboxy-5-[[[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-1H-indol-2-yl]carbonyl]amino]pentyl]alanyl- | 115794-86-0

• 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: L-Proline,N-[1-carboxy-5-[[[4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-1H-indol-2-yl]carbonyl]amino]pentyl]alanyl-
• 英文别名: 1-[2-[[1-carboxy-5-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1H-indole-2-carbonyl]amino]pentyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
• CAS: 115794-86-0
• 化学式: C₂₉H₄₃N₅O₈
• 分子量: 589.7
• InChiKey: XCLLRLKRCYZTES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.9
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  193
• 氢给体数：
  7
• 氢受体数：
  10

文献信息

• Pharmaceutically active dipeptide derivatives
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0174162A2

  公开（公告）日：1986-03-12

  The invention relates to compounds of formula (I), physiologically acceptable salts thereof, formulations containing them, their preparation and their use in medicine. In formula (I) Q and Q'-Q8are independently selected hydrogen and C1-4 alkyl; A is a group of formula -(CO)k-(N09)m-(CH2)n - where k and m are either both 0 or both 1, n is from 1 to 6, Q9 is selected from hydrogen and C1-4 alkyl and any of the -(CH2)n groups independently are optionally substituted by one or two C1-4 alkyl groups; B is a C1-6 alkyl group; E and Z are independently selected from carboxy derivatives thereof; D is hydrogen or a C1-6 alkyl group which is optionally substituted by an amino group; (X) is a benzene ring or a naphthyl or indolyl ring system any of which is optionally substituted in any position by one or more substituents independently selected from C1-4 (itself optionally substituted by one or more halogen atoms (C1-4 alkoxy, halo, nitro, amino, carboxy, C1-4 alkoxycarbonyl and hydroxy; and -N Y is a pyrrolidinyl, oxazolidinyl or thiazolidinyl ring, or a ring system selected from indolinyl, quinolinyl and tetrahydroquinolinyl.

  本发明涉及式 (I) 化合物、其生理上可接受的盐、含有它们的制剂、它们的制备以及它们在医药中的应用。 的制剂及其在医药中的应用。 在式 (I) 中 Q和Q'-Q8分别独立地选为氢和C1-4烷基； A 是式-(CO)k-(N09)m-(CH2)n-的基团，其中 k 和 m 要么都是 0，要么都是 1，n 是 1 至 6，Q9 选自氢和 C1-4 烷基，且任何一个-(CH2)n 基团都独立地被一个或两个 C1-4 烷基任选取代； B 是 C1-6 烷基； E和Z各自选自其羧基衍生物； D 是氢或任选被氨基取代的 C1-6 烷基； (X) 是苯环或萘基或吲哚基环系，其中任一环系在任一位置任选被一个或多个取代基取代，这些取代基独立选自 C1-4（本身任选被一个或多个卤原子（C1-4 烷氧基、卤代、硝基、氨基、羧基、C1-4 烷氧基羰基和羟基）取代）；以及 -N Y 是吡咯烷基、噁唑烷基或噻唑烷基环，或选自吲哚啉基、喹啉基和四氢喹啉基的环系。