m-Nitropropiophenon-hydrazon | 32770-76-6

• 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: m-Nitropropiophenon-hydrazon
• 英文别名: 1-(3-Nitrophenyl)-1-propanone hydrazone；1-(3-nitrophenyl)propylidenehydrazine
• CAS: 32770-76-6
• 化学式: C₉H₁₁N₃O₂
• mdl: MFCD25962341
• 分子量: 193.205
• InChiKey: PRSIVKNGHKMCKO-UHFFFAOYSA-N

物化性质

• 熔点：
  32 °C
• 沸点：
  341.3±44.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  m-Nitropropiophenon-hydrazon 在 manganese(IV) oxide 、 水 、 铁粉 、 calcium chloride 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 生成
  参考文献：
  名称：

  SAR and biological evaluation of 3-azabicyclo[3.1.0]hexane derivatives as μ opioid ligands

  摘要：

  3-Azabicyclo[3.1.0] hexane compounds were designed as novel achiral mu opioid receptor ligands for the treatment of pruritus in dogs. In this paper, we describe the SAR of this class of opioid ligand, highlighting changes to the lead structure which led to compounds having picomolar binding affinity, selective for the mu receptor over delta and kappa subtypes. Some subtleties of functional activity will also be described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.099
• 作为产物：
  描述：

  3-硝基苯丙酮 在 肼 作用下， 以 乙醇 、 水 为溶剂， 生成 m-Nitropropiophenon-hydrazon
  参考文献：
  名称：

  SAR and biological evaluation of 3-azabicyclo[3.1.0]hexane derivatives as μ opioid ligands

  摘要：

  3-Azabicyclo[3.1.0] hexane compounds were designed as novel achiral mu opioid receptor ligands for the treatment of pruritus in dogs. In this paper, we describe the SAR of this class of opioid ligand, highlighting changes to the lead structure which led to compounds having picomolar binding affinity, selective for the mu receptor over delta and kappa subtypes. Some subtleties of functional activity will also be described. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.099

文献信息

• 3-azabicyclo[3.1.0]hexane derivatives useful in therapy
  申请人：——

  公开号：US20020025948A1

  公开（公告）日：2002-02-28

  Compounds of formula I, 1 where the substituents are as defined herein, and the pharmaceutically or veterinarily acceptable derivatives or prodrugs thereof, are pharmaceutically and veterinarily useful, in particular they bind to opiate receptors (e.g. mu, kappa and delta opioid receptors). They are likely to be useful in the treatment of diseases or conditions modulated by opiate receptors, for example irritable bowel syndrome; constipation; nausea; vomiting; pruritic dermatoses, such as allergic dermatitis and atopy; eating disorders; opiate overdoses; depression; smoking and alcohol addiction; sexual dysfunction; shock; stroke; spinal damage; and head trauma.

  公式I，其中取代基如此定义的化合物及其药学或兽医可接受的衍生物或前药，在药学和兽医学上具有用途，尤其是它们能够结合到阿片受体（例如mu、kappa和delta阿片受体）。它们可能有助于治疗由阿片受体调节的疾病或症状，例如肠易激综合征、便秘、恶心、呕吐、瘙痒性皮肤病，如过敏性皮炎和特应性皮炎、进食障碍、阿片过量、抑郁症、吸烟和酗酒成瘾、性功能障碍、休克、中风、脊髓损伤和头部创伤。
• SAR and biological evaluation of 3-azabicyclo[3.1.0]hexane derivatives as μ opioid ligands
  作者：Graham Lunn、Lee R. Roberts、Stephane Content、Douglas J. Critcher、Sara Douglas、Ashley E. Fenwick、David M. Gethin、Graham Goodwin、David Greenway、Sean Greenwood、Kim Hall、Martin Thomas、Stephen Thompson、David Williams、Gavin Wood、Andrew Wylie

  DOI：10.1016/j.bmcl.2012.01.099

  日期：2012.3

  3-Azabicyclo[3.1.0] hexane compounds were designed as novel achiral mu opioid receptor ligands for the treatment of pruritus in dogs. In this paper, we describe the SAR of this class of opioid ligand, highlighting changes to the lead structure which led to compounds having picomolar binding affinity, selective for the mu receptor over delta and kappa subtypes. Some subtleties of functional activity will also be described. (C) 2012 Elsevier Ltd. All rights reserved.