N-(2-Benzenesulfonyl-2,7,8,9-tetrahydro-6-oxo-2-aza-benzo[cd]azulen-8-yl)-N-cyclopropyl-2,2,2,-trifluoroacetamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(2-Benzenesulfonyl-2,7,8,9-tetrahydro-6-oxo-2-aza-benzo[cd]azulen-8-yl)-N-cyclopropyl-2,2,2,-trifluoroacetamide
• 英文别名: N-[3-(benzenesulfonyl)-9-oxo-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-11-yl]-N-cyclopropyl-2,2,2-trifluoroacetamide
• 化学式: C₂₃H₁₉F₃N₂O₄S
• 分子量: 476.476
• InChiKey: IJOWSUSEWNIMMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  84.8
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(2-Benzenesulfonyl-2,7,8,9-tetrahydro-6-oxo-2-aza-benzo[cd]azulen-8-yl)-N-cyclopropyl-2,2,2,-trifluoroacetamide 、 sodium tetrahydroborate 在 草酸 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 生成 (2-Benzenesulfonyl-2,7,8,9-tetrahydro-6-oxo-2-aza-benzo [cd]azulen-8-yl)cyclopropylamine
  参考文献：
  名称：

  EP1325909

  摘要：

  公开号：

文献信息

• Tricylic indole compounds having affinity for serotonin receptor
  申请人：——

  公开号：US20030236295A1

  公开（公告）日：2003-12-25

  Having an affinity against serotonine receptors, compound (I) shown below is useful as a therapeutic agent against various kinds of diseases of central nervous systems. 1 (wherein R 1 is hydrogen; R 2 is hydrogen or lower alkyl; R 3 is hydrogen, —COOR 12 and so on; R 4 is hydrogen, lower alkyl and so on, or R 3 and R 4 taken together may form ═O or ═S; R 5 is hydrogen, or R 3 and R 5 taken together may form a bond; R 6 is hydrogen, —COOR 24 and so on; R 7 is hydrogen, halogen, lower alkyl and so on; R 8 is hydrogen, lower alkyl, cycloalkyl and so on; R 9 , R 10 and R 11 are each independently hydrogen, halogen, lower alkyl and so on)

  针对5-羟色胺受体具有亲和力的化合物(I)，如下所示，可用作治疗中枢神经系统各种疾病的治疗剂。其中R1为氢；R2为氢或较低的烷基；R3为氢，—COOR12等；R4为氢，较低的烷基等，或者R3和R4一起可能形成═O或═S；R5为氢，或者R3和R5一起可能形成键；R6为氢，—COOR24等；R7为氢，卤素，较低的烷基等；R8为氢，较低的烷基，环烷基等；R9、R10和R11各自独立地为氢，卤素，较低的烷基等。
• Tricyclic indole compounds having an affinity against serotonin receptors
  申请人：Fukui Yoshikazu

  公开号：US20050043387A1

  公开（公告）日：2005-02-24

  Having an affinity against serotonine receptors, compound (I) shown below is useful as a therapeutic agent against various kinds of diseases of central nervous systems. (wherein R 1 is hydrogen; R 2 is hydrogen or lower alkyl; R 3 is hydrogen, —COOR 12 and so on; R 4 is hydrogen, lower alkyl and so on, or R 3 and R 4 taken together may form ═O or ═S; R 5 is hydrogen, or R 3 and R 5 taken together may form a bond; R 6 is hydrogen, —COOR 24 and so on; R 7 is hydrogen, halogen, lower alkyl and so on; R 8 is hydrogen, lower alkyl, cycloalkyl and so on; R 9 , R 10 and R 11 are each independently hydrogen, halogen, lower alkyl and so on)

  以下化合物（I）具有对5-羟色胺受体的亲和性，因此可用作治疗中枢神经系统各种疾病的治疗剂。（其中R1为氢；R2为氢或低碳基；R3为氢，-COOR12等；R4为氢，低碳基等，或R3和R4可共同形成═O或═S；R5为氢，或者R3和R5共同形成键；R6为氢，-COOR24等；R7为氢，卤素，低碳基等；R8为氢，低碳基，环烷基等；R9，R10和R11各自独立地为氢，卤素，低碳基等）
• TRICYCLIC INDOLE COMPOUNDS HAVING AFFINITY FOR SEROTONIN RECEPTOR
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1325909A1

  公开（公告）日：2003-07-09

  Having an affinity against serotonine receptors, compound (I) shown below is useful as a therapeutic agent against various kinds of diseases of central nervous systems. (wherein R1 is hydrogen ; R2 is hydrogen or lower alkyl ; R3 is hydrogen,-COOR12 and so on ; R4 is hydrogen, lower alkyl and so on, or R3 and R4 taken together may form =O or =S; R5 is hydrogen, or R3 and R5 taken together may form a bond ; R6is hydrogen, -COOR24 and so on ; R7 is hydrogen, halogen, lower alkyl and so on ; R8 is hydrogen, lower alkyl, cycloalkyl and so on ; R9, R10 and R11 are each independently hydrogen, halogen, lower alkyl and so on)

  下图所示化合物(I)对血清素受体具有亲和力，可用作治疗各种中枢神经系统疾病的药物。 (其中 R1 是氢；R2 是氢或低级烷基；R3 是氢、-COOR12 等；R4 是氢、低级烷基等，或 R3 和 R4 合在一起可形成 =O 或 =S；R5 是氢，或 R3 和 R5 合在一起可形成键；R6 是氢、-COOR24 等；R7 是氢、卤素、低级烷基等；R8 是氢、低级烷基、环烷基等；R9、R10 和 R11 各自独立地是氢、卤素、低级烷基等）。
• EP1325909
  申请人：——

  公开号：——

  公开（公告）日：——
• US6858640B2
  申请人：——

  公开号：US6858640B2

  公开（公告）日：2005-02-22