Cyclohexandion-(1.2)-monophenylhydrazon | 1687-48-5

• 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: Cyclohexandion-(1.2)-monophenylhydrazon
• 英文别名: (2Z)-2-(2-phenylhydrazinylidene)cyclohexanone；(2Z)-2-(phenylhydrazinylidene)cyclohexan-1-one
• CAS: 1687-48-5
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: JKGRWIYJFZVNFM-KAMYIIQDSA-N

物化性质

• 熔点：
  183-185 °C
• 沸点：
  332.8±25.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Cyclohexandion-(1.2)-monophenylhydrazon 在 硫酸 作用下， 以 水 、 乙腈 为溶剂， 反应 4.0h， 以58%的产率得到2,3,4,9-四氢-1H-咔唑-1-酮
  参考文献：
  名称：

  A novel necroptosis inhibitor—necrostatin-21 and its SAR study

  摘要：

  An initial structure-activity relationship study of the novel necroptosis inhibitor Nec-21 was described. Any changes of the tetracyclic scaffold were detrimental for the activity. Introduction of a substituent to 7 or 8 position (e.g., cyano or methoxy group, respectively), would increase the activity. The 7 and 8-position disubstituted compound 17b was 35-fold as potent as the lead, while EC50 reached 14 nM. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.073
• 作为产物：
  描述：

  环己酮 在 盐酸 、 乙醇 、 sodium hydride 作用下， 以 乙醚 、 水 、 mineral oil 为溶剂， 反应 4.0h， 生成 Cyclohexandion-(1.2)-monophenylhydrazon
  参考文献：
  名称：

  A novel necroptosis inhibitor—necrostatin-21 and its SAR study

  摘要：

  An initial structure-activity relationship study of the novel necroptosis inhibitor Nec-21 was described. Any changes of the tetracyclic scaffold were detrimental for the activity. Introduction of a substituent to 7 or 8 position (e.g., cyano or methoxy group, respectively), would increase the activity. The 7 and 8-position disubstituted compound 17b was 35-fold as potent as the lead, while EC50 reached 14 nM. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.06.073

文献信息

• [EN] COMPOSITIONS AND METHODS FOR VIRAL INHIBITION<br/>[FR] COMPOSITIONS ET PROCEDES D'INHIBITION VIRALE
  申请人：CHIRON CORP

  公开号：WO2005037791A1

  公开（公告）日：2005-04-28

  The present invention discloses methods and compositions for viral inhibition, particularly inhibition of HCV and SARS. The invention also provides compositions including carbazole derivatives useful for viral inhibition.

  本发明公开了用于病毒抑制的方法和组合物，特别是用于HCV和SARS的抑制。该发明还提供了包括对病毒抑制有用的咔唑衍生物的组合物。
• Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives
  申请人：Sabb Louise Annmarie

  公开号：US20060205759A1

  公开（公告）日：2006-09-14

  The present invention provides cycloalkylfused indole, benzothiophene, benzofuran, and indene derivatives, and methods for using them to, for example, treat, prevent and/or ameliorate central nervous system diseases by antagonizing 5-HT 1A receptors and modulating serotonin levels.

  本发明提供环烷基融合吲哚、苯并噻吩、苯并呋喃和茚烯衍生物，以及使用它们的方法，例如通过拮抗5-HT1A受体和调节血清素水平来治疗、预防和/或改善中枢神经系统疾病。
• CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES
  申请人：Sabb Louise Annmarie

  公开号：US20080081910A1

  公开（公告）日：2008-04-03

  The present invention provides cycloalkylfused indole, benzothiophene, benzofuran, and indene derivatives, and methods for using them to, for example, treat, prevent and/or ameliorate central nervous system diseases by antagonizing 5-HT 1A receptors and modulating serotonin levels.

  本发明提供了环烷基融合吲哚、苯并噻吩、苯并呋喃和茚烯衍生物，以及使用它们的方法，例如通过拮抗5-HT1A受体和调节血清素水平来治疗、预防和/或改善中枢神经系统疾病。
• Compositions and Methods for Viral Inhibition
  申请人：Ni Zhi-Jie

  公开号：US20070276009A1

  公开（公告）日：2007-11-29

  The present invention discloses methods and compositions for viral inhibition, particularly inhibition of HCV and SARS. The invention also provides compositions including carbazole derivatives useful for viral inhibition.

  本发明揭示了病毒抑制的方法和组合物，特别是对HCV和SARS的抑制。本发明还提供了包括咔唑衍生物的组合物，用于病毒抑制。
• Pyrazino-carbazole, Verfahren zu ihrer Herstellung und sie enthaltende pharmazeutische Mittel
  申请人：CASSELLA Aktiengesellschaft

  公开号：EP0028270B1

  公开（公告）日：1983-02-16