4-(cyclopropylmethyl)-N-[(1R,2S)-1-[({5-[(dimethylamino)methyl]-2-methoxyphenyl}amino)carbonyl]-2-(1H-indol-3-yl)propyl]piperazine-1-carboxamide | 697308-86-4

• 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: 4-(cyclopropylmethyl)-N-[(1R,2S)-1-[({5-[(dimethylamino)methyl]-2-methoxyphenyl}amino)carbonyl]-2-(1H-indol-3-yl)propyl]piperazine-1-carboxamide
• 英文别名: 4-(cyclopropylmethyl)-N-[(2R,3S)-1-[5-[(dimethylamino)methyl]-2-methoxyanilino]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]piperazine-1-carboxamide
• CAS: 697308-86-4
• 化学式: C₃₁H₄₂N₆O₃
• 分子量: 546.713
• InChiKey: LVJGOELXEHPBDG-KCWXNJEJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  40
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  92.9
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Indole derivatives as somatostatin agonists or antagonists
  申请人：Abe Hidenori

  公开号：US20060223826A1

  公开（公告）日：2006-10-05

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R 1 and R 2 are the same or different and each represents a hydrogen atom, etc.; R 3 represents a hydrogen atom, etc.; R 4 and R 5 are the same or different and each represents a hydrogen, etc.; R 6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种化合物(I)的公式，其中环A代表一种芳香环，可选地具有取代基; B、Y和Ya相同或不同，每个代表一种键等; R1和R2相同或不同，每个代表一个氢原子等; R3代表一个氢原子等; R4和R5相同或不同，每个代表一个氢等; R6代表一种吲哚基，可选地具有取代基; Z和Za相同或不同，每个代表一个氢原子等; 或其盐或前药，具有生长抑素受体结合抑制活性，并用于预防和/或治疗与生长抑素相关的疾病。