4,5,7,8,9,10-Hexahydro-pyrido[4,3-b]pyrrolo[3,2,1-hi]indole | 773044-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 4,5,7,8,9,10-Hexahydro-pyrido[4,3-b]pyrrolo[3,2,1-hi]indole
• 英文别名: 4,8-Diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1(14),2(7),11(15),12-tetraene
• CAS: 773044-41-0
• 化学式: C₁₃H₁₄N₂
• 分子量: 198.268
• InChiKey: KDCLHENEUVJSTM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  17
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4,5,7,8,9,10-Hexahydro-pyrido[4,3-b]pyrrolo[3,2,1-hi]indole 在 sodium tetrahydroborate 、 potassium carbonate 、 三氟乙酸 、 potassium iodide 、 肼 作用下， 以 四氢呋喃 、 乙醇 、 丁酮 为溶剂， 生成 1-[(6aR,10aS)-3-(4,5,7,8,10,10a-Hexahydro-6aH-pyrido[4,3-b]pyrrolo[3,2,1-hi]indol-9-yl)-propyl]-3-(3-iodo-phenyl)-urea
  参考文献：
  名称：

  CCR3 antagonists: a potential new therapy for the treatment of asthma. Discovery and structure–activity relationships

  摘要：

  CCR3 antagonist leads with IC50 values in the muM range were converted into low nM binding compounds that displayed in vitro inhibition of human eosinophil chemotaxis induced by human eotaxin. In particular, 4-benzylpiperidin-1-yl-n-propylureas and erythro-3-(4-benzyl-2-(alpha-hydroxyalkyl)piperidin-1-yl)-n-propylureas (obtained via Beak reaction of N-BOC-4-benzylpiperidine) exhibited single digit nanomolar IC50 values for CCR3. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00206-8
• 作为产物：
  描述：

  1-吲哚啉胺 、 4-氧代哌啶酮盐酸盐 以 异丙醇 为溶剂， 生成 4,5,7,8,9,10-Hexahydro-pyrido[4,3-b]pyrrolo[3,2,1-hi]indole
  参考文献：
  名称：

  CCR3 antagonists: a potential new therapy for the treatment of asthma. Discovery and structure–activity relationships

  摘要：

  CCR3 antagonist leads with IC50 values in the muM range were converted into low nM binding compounds that displayed in vitro inhibition of human eosinophil chemotaxis induced by human eotaxin. In particular, 4-benzylpiperidin-1-yl-n-propylureas and erythro-3-(4-benzyl-2-(alpha-hydroxyalkyl)piperidin-1-yl)-n-propylureas (obtained via Beak reaction of N-BOC-4-benzylpiperidine) exhibited single digit nanomolar IC50 values for CCR3. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00206-8

文献信息

• Substituted heterocycle fused gamma-carbolines
  申请人：——

  公开号：US20040209864A1

  公开（公告）日：2004-10-21

  The present invention is directed to methods of treating addictive behavior and sleep disorders by administering compounds represented by structural Formula (I) 1 or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6a , R 6b , R 7 , R 8 , R 9 , X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.

  本发明涉及通过给予由结构式（I）1所代表的化合物或其药学上可接受的盐形式来治疗成瘾行为和睡眠障碍的方法，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线在此处描述。本发明治疗方法中使用的化合物是5-羟色胺激动剂和拮抗剂，对于控制或预防包括成瘾行为和睡眠障碍在内的中枢神经系统紊乱是有用的。
• Substituted heterocyle fused gamma-carbolines
  申请人：Robichaud J. Albert

  公开号：US20060178362A1

  公开（公告）日：2006-08-10

  The present invention is directed to compounds useful for treating addictive behavior and sleep disorders represented by structural Formula (I) or pharmaceutically acceptable salt forms thereof, wherein R 1 , R 5 , R 6a , R 6b , R 7 , R 8 , R 9 , X, b, k, m, and n, and the dashed lines are described herein. The compounds used in the method of treatment of this invention are serotonin agonists and antagonists and are useful in the control or prevention of central nervous system disorders including addictive behavior and sleep disorders.

  本发明涉及用于治疗成瘾行为和睡眠障碍的化合物，其结构式表示为(I)，或其药学上可接受的盐形式，其中R1、R5、R6a、R6b、R7、R8、R9、X、b、k、m和n以及虚线如本文所述。本发明方法中使用的化合物是5-羟色胺激动剂和拮抗剂，并且对于控制或预防包括成瘾行为和睡眠障碍在内的中枢神经系统疾病是有用的。
• SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1189905B1

  公开（公告）日：2004-09-29
• US6548493B1
  申请人：——

  公开号：US6548493B1

  公开（公告）日：2003-04-15
• US7081455B2
  申请人：——

  公开号：US7081455B2

  公开（公告）日：2006-07-25