(8aS,12aR)-6,7,8a,9,10,11,12,12a-octahydro-5H-pyrido[4,3-b][1,4]thiazepino[2,3,4-hi]indole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并硫氮卓类
• 英文名称: (8aS,12aR)-6,7,8a,9,10,11,12,12a-octahydro-5H-pyrido[4,3-b][1,4]thiazepino[2,3,4-hi]indole
• 英文别名: (11S,16R)-6-thia-10,14-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4-triene
• 化学式: C₁₄H₁₈N₂S
• 分子量: 246.376
• InChiKey: BFTSQLRGEOKCJS-RYUDHWBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  40.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (8aS,12aR)-6,7,8a,9,10,11,12,12a-octahydro-5H-pyrido[4,3-b][1,4]thiazepino[2,3,4-hi]indole 在 potassium carbonate 、 potassium iodide 作用下， 以 1,4-二氧六环 为溶剂， 生成 1-Ethyl-3-[5-fluoro-2-((7bS,11aR)-4-6,7,8,9,11,11a-hexahydro-5H,7bH-4-thia-7a,10-diaza-cyclohepta[jk]fluoren-10-yl-butyryl)-phenyl]-urea
  参考文献：
  名称：

  Novel, highly potent, selective 5-HT2A/D2 receptor antagonists as potential atypical antipsychotics

  摘要：

  The discover of N-substituted-pyridoindolines and their binding affinities at the 5-HT2A, 5-HT2C and D-2 receptors, and in vivo efficacy as 5-HT2A antagonists is described. The structure-activity relationship of a series of core tetracyclic derivatives with varying butyrophenone sidechains is also discussed. This study has led to the identification of potent, orally bioavailable 5-HT2A/D2 receptor dual antagonists as potential atypical antipsychotics. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01028-4

文献信息

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

  公开号：US20040220178A1

  公开（公告）日：2004-11-04

  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）表示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以及虚线如本文所述。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疾病是有用的。
• SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES
  申请人：Bristol-Myers Squibb Pharma Company

  公开号：EP1189904B1

  公开（公告）日：2004-09-22
• US6552017B1
  申请人：——

  公开号：US6552017B1

  公开（公告）日：2003-04-22
• US6713471B1
  申请人：——

  公开号：US6713471B1

  公开（公告）日：2004-03-30
• US7071186B2
  申请人：——

  公开号：US7071186B2

  公开（公告）日：2006-07-04