N-{2-[4-(6-fluoro-3-indolyl)piperidin-1-yl]ethyl}-N'-[4-methoxy-3-(4-methyl-1-piperidinyl)phenyl]urea | 1099003-24-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: N-{2-[4-(6-fluoro-3-indolyl)piperidin-1-yl]ethyl}-N'-[4-methoxy-3-(4-methyl-1-piperidinyl)phenyl]urea
• 英文别名: 1-[2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-3-[4-methoxy-3-(4-methylpiperidin-1-yl)phenyl]urea
• CAS: 1099003-24-3
• 化学式: C₂₉H₃₈FN₅O₂
• 分子量: 507.651
• InChiKey: XAUHNIOOFZMWJP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  72.6
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands
  申请人：MERCK PATENT GMBH

  公开号：US20030064995A1

  公开（公告）日：2003-04-03

  Amide and urea derivatives of the formula I R 1 —(CH 2 ) n —(Y) q —(Z) r —CO—NH—R 2 (I) in which R 1 , n, Y, q, Z, r and R 2 have the meanings indicated in claim 1, are potent 5-HT 1B/1D antagonists and exhibit 5-HT reuptake-inhibiting actions and are suitable for the treatment and prophylaxis of anxiety states, depressions, schizophrenia, compulsive ideas, tardive dyskinesias, learning disorders, age-dependent memory disorders, for positively affecting obsessive-compulsive behaviour (OCD), and also for the treatment and for the control of the sequelae of cerebral infarcts such as stroke and cerebral ischaemias.

  公式IR1—(CH2)n—(Y)q—(Z)r—CO—NH—R2(I)中的衍生物，其中R1，n，Y，q，Z，r和R2具有权利要求书1中所示的含义，是有效的5-HT1B / 1D拮抗剂，并表现出5-HT重摄取抑制作用，适用于治疗和预防焦虑状态，抑郁症，精神分裂症，强迫性思维，迟发性病态动作，学习障碍，年龄相关的记忆障碍，对强迫性-强迫行为（OCD）产生积极影响，并且还适用于治疗和控制脑梗死后遗症，如中风和脑缺血。
• Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands
  申请人：Van Amsterdam Christoph

  公开号：US20050176730A1

  公开（公告）日：2005-08-11

  Amide and urea derivatives of the formula I R 1 —(CH 2 ) n —(Y) q -(Z) r -CO—NH—R 2 (I) in which R 1 , n, Y, q, Z, r and R 2 have the meanings indicated in claim 1, are potent 5-HT 1B/1D antagonists and exhibit 5-HT reuptake-inhibiting actions and are suitable for the treatment and prophylaxis of anxiety states, depressions, schizophrenia, compulsive ideas, tardive dyskinesias, learning disorders, age-dependent memory disorders, for positively affecting obsessive-compulsive behaviour (OCD), and also for the treatment and for the control of the sequelae of cerebral infarcts such as stroke and cerebral ischaemias.

  公式IR1—(CH2)n—(Y)q-(Z)r-CO—NH—R2（I）中，R1，n，Y，q，Z，r和R2具有权利要求1中指示的含义，是有效的5-HT1B/1D拮抗剂，具有5-HT重摄取抑制作用，并适用于治疗和预防焦虑状态，抑郁症，精神分裂症，强迫性思维，迟发性病动症，学习障碍，年龄相关的记忆障碍，对强迫性行为（OCD）产生积极影响，以及治疗和控制脑梗塞和脑缺血等后遗症。
• US6509340B1
  申请人：——

  公开号：US6509340B1

  公开（公告）日：2003-01-21