1-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one | 741721-03-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 1-nitro-8,9-dihydro-5H-benzo[7]annulen-7(6H)-one
• 英文别名: 4-Nitro-5,6,8,9-tetrahydrobenzo[7]annulen-7-one
• CAS: 741721-03-9
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: ADLYNTABZPGWOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  62.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5,6,8,9-四氢-苯并环庚烯-7-酮 在 硫酸 、 硝酸 作用下， 以 硝基甲烷 为溶剂， 反应 0.5h， 以59%的产率得到5,6,8,9-四氢-2-硝基-7H-苯并-7-环庚酮
  参考文献：
  名称：

  Benzo[7]annulene-based GluN2B selective NMDA receptor antagonists: Surprising effect of a nitro group in 2-position

  摘要：

  Benzo[7]annulen-7-amines 7 without further polar substituents have been reported as conformationally restricted Ro 25-6981 analogs and show unexpectedly high GluN2B affinity. Herein the corresponding 2-NO2 derivatives 8 were synthesized and pharmacologically evaluated. NO2 derivatives 8 show 5- to 10-fold higher GluN2B affinity than the unsubstituted ligands 7. Docking studies of ligands 7c and 8c reveal an important contribution of the 2-NO2-substituent in determining the binding pose and modulating the GluN2B affinity. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.10.076

文献信息

• POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
  申请人：RIGEL PHARMACEUTICALS, INC.

  公开号：US20140323490A1

  公开（公告）日：2014-10-30

  Polycyclic heteroaryl substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the compounds in treating diseases or conditions associated with Axl activity are also disclosed.

  本发明涉及多环杂芳基取代的三唑化合物以及含有这些化合物的制药组合物，这些化合物被揭示为在抑制受体蛋白酪氨酸激酶Axl的活性方面有用。还揭示了使用这些化合物治疗与Axl活性相关的疾病或病状的方法。
• POLYCYCLIC HETEROARYL SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
  申请人：Goff Dane

  公开号：US20080188455A1

  公开（公告）日：2008-08-07

  Polycyclic heteroaryl substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the compounds in treating diseases or conditions associated with Axl activity are also disclosed.

  本发明揭示了多环杂芳基取代的三唑类化合物及含有该化合物的制药组合物，用于抑制受体蛋白酪氨酸激酶Axl的活性。还揭示了使用该化合物治疗与Axl活性相关的疾病或病况的方法。
• SUBSTITUTED TRIAZOLES USEFUL AS AXL INHIBITORS
  申请人：Goff Dane

  公开号：US20080188474A1

  公开（公告）日：2008-08-07

  Substituted triazoles and pharmaceutical compositions containing the compounds are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the compounds in treating diseases or conditions associated with Axl activity are also disclosed.

  本发明揭示了替代三唑和含有该化合物的制药组合物，其在抑制受体蛋白酪氨酸激酶Axl的活性方面是有用的。还揭示了使用该化合物治疗与Axl活性相关的疾病或病况的方法。
• FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS
  申请人：Ahmed Gulzar

  公开号：US20090221555A1

  公开（公告）日：2009-09-03

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供公式I或II化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。公式I或II化合物具有ALK和/或c-Met抑制活性，可用于治疗增殖性疾病。
• Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors
  申请人：Ahmed Gulzar

  公开号：US20120165519A1

  公开（公告）日：2012-06-28

  The present invention provides a compound of formula I or II or a pharmaceutically acceptable salt form thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , A 1 , A 2 , A 3 , A 4 , and A 5 , are as defined herein. The compounds of formula I or II have ALK and/or c-Met inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了式I或II的化合物或其药学上可接受的盐形式，其中R1、R2、R3、R4、R5、A1、A2、A3、A4和A5如本文所定义。式I或II的化合物具有ALK和/或c-Met抑制活性，并可用于治疗增生性疾病。