8-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)-10,11-dihydro-5H-dibenz[b,f]azepin-2-carboaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 8-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)-10,11-dihydro-5H-dibenz[b,f]azepin-2-carboaldehyde
• 英文别名: 8-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6,11-dihydro-5H-benzo[b][1]benzazepine-3-carbaldehyde
• 化学式: C₂₆H₂₆N₄O
• 分子量: 410.519
• InChiKey: AEIZYHQWNWVRMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  59.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)-10,11-dihydro-5H-dibenz[b,f]azepin-2-carboaldehyde 在 苯酐 、 盐酸羟胺 、 三乙胺 作用下， 以 乙腈 为溶剂， 以68%的产率得到{8-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)-10,11-dihydro-5H-dibenz[b,f]azepine-2-carbonitrile}
  参考文献：
  名称：

  PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH

  摘要：

  本发明提供了一种用于预防和/或治疗瘙痒的药剂，包括一种能够抑制参与GPR4信号转导功能的物质作为活性成分。它还提供了一种由式（I）表示的含氮三环化合物或其季铵盐，或其药用可接受盐；[其中R1代表取代或未取代的较低烷基等；R2代表氢、取代或未取代的较低烷基等；R3和R4相同或不同，各自代表氢、较低烷基等；n代表0或1；X代表-(CH2)2-等；Y代表式（II）；（其中W代表CH或氮原子；Z1和Z2相同或不同，各自代表氢、取代或未取代的较低烷基等；Z3代表氢、取代或未取代的较低烷基等）]

  公开号：

  EP1547616A1
• 作为产物：
  描述：

  2-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-8-(pyrrolidin-1-ylmethyl)-10,11-dihydro-5H-dibenzo[b,f]azepine 在 manganese(IV) oxide 、 sodium methylate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 氯仿 、 二甲基亚砜 、 乙酸乙酯 、 丙酮 为溶剂， 反应 63.0h， 生成 8-(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-ylmethyl)-10,11-dihydro-5H-dibenz[b,f]azepin-2-carboaldehyde
  参考文献：
  名称：

  PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH

  摘要：

  本发明提供了一种用于预防和/或治疗瘙痒的药剂，包括一种能够抑制参与GPR4信号转导功能的物质作为活性成分。它还提供了一种由式（I）表示的含氮三环化合物或其季铵盐，或其药用可接受盐；[其中R1代表取代或未取代的较低烷基等；R2代表氢、取代或未取代的较低烷基等；R3和R4相同或不同，各自代表氢、较低烷基等；n代表0或1；X代表-(CH2)2-等；Y代表式（II）；（其中W代表CH或氮原子；Z1和Z2相同或不同，各自代表氢、取代或未取代的较低烷基等；Z3代表氢、取代或未取代的较低烷基等）]

  公开号：

  EP1547616A1

文献信息

• Preventive and/or therapeutic drugs for asthma
  申请人：Saki Mayumi

  公开号：US20060239999A1

  公开（公告）日：2006-10-26

  The present invention provides an agent for prevention and/or treatment of asthma comprising a substance capable of suppressing the function involved in signal transduction of GPR4 as an active ingredient. It also provides an agent for prevention and/or treatment of asthma which comprises a nitrogen-containing tricyclic compound represented by the formula (I) or a quaternary ammonium salt thereof, or a pharmaceutically acceptable salt thereof; [wherein R 1 represents a substituted or unsubstituted lower alkyl, or the like; R 2 represents hydrogen, a substituted or unsubstituted lower alkyl, or the like; R 3 and R 4 are the same or different and each represents hydrogen, lower alkyl, or the like; n represents 0 or 1; X represents —(CH 2 ) 2 —, or the like; and Y represents the formula (II) (wherein W represents CH or a nitrogen atom; Z 1 and Z 2 are the same or different and each represents hydrogen, a substituted or unsubstituted lower alkyl, or the like; and Z 3 represents hydrogen, a substituted or unsubstituted lower alkyl, or the like)] as an active ingredient.

  本发明提供了一种用于预防和/或治疗哮喘的药剂，其包括一种能够抑制GPR4信号转导功能的物质作为活性成分。还提供了一种用于预防和/或治疗哮喘的药剂，其包括式(I)所表示的含氮三环化合物或其季铵盐，或其药学上可接受的盐；[其中R1表示取代或未取代的低碳基等；R2表示氢、取代或未取代的低碳基等；R3和R4相同或不同，每个表示氢、低碳基等；n表示0或1；X表示—(CH2)2—等；Y表示式(II)（其中W表示CH或氮原子；Z1和Z2相同或不同，每个表示氢、取代或未取代的低碳基等；Z3表示氢、取代或未取代的低碳基等）]作为活性成分。
• Preventive and/or trerapeutic drgs for itch
  申请人：Saki Mayumi

  公开号：US20060252679A1

  公开（公告）日：2006-11-09

  The present invention provides an agent for prevention and/or treatment of itching comprising a substance capable of suppressing the function involved in signal transduction of GPR4 as an active ingredient. It also provides a nitrogen-containing tricyclic compound represented by the formula (I) or a quaternary ammonium salt thereof, or a pharmaceutically acceptable salt thereof; [wherein R 1 represents substituted or unsubstituted lower alkyl, etc.; R 2 represents hydrogen, substituted or unsubstituted lower alkyl, etc.; R 3 and R 4 are the same or different and each represents hydrogen, lower alkyl, etc.; n represents 0 or 1; X represents —(CH 2 ) 2 —, etc.; and Y represents the formula (II); (wherein W represents CH or a nitrogen atom; Z 1 and Z 2 are the same or different and each represents hydrogen, substituted or unsubstituted lower alkyl, etc.; and Z 3 represents hydrogen, substituted or unsubstituted lower alkyl, etc.)]

  本发明提供了一种用于预防和/或治疗瘙痒的药剂，其包括一种能够抑制GPR4信号传导功能的物质作为活性成分。它还提供了一种氮杂三环化合物，其表示为式(I)或其季铵盐，或其药学上可接受的盐；其中，R1表示取代或未取代的低碳基等；R2表示氢，取代或未取代的低碳基等；R3和R4相同或不同，每个表示氢，低碳基等；n表示0或1；X表示—(CH2)2—等；Y表示式(II)；(其中，W表示CH或氮原子；Z1和Z2相同或不同，每个表示氢，取代或未取代的低碳基等；Z3表示氢，取代或未取代的低碳基等。)
• PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ASTHMA
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1537879A1

  公开（公告）日：2005-06-08

  The present invention provides an agent for prevention and/or treatment of asthma comprising a substance capable of suppressing the function involved in signal transduction of GPR4 as an active ingredient. It also provides an agent for prevention and/or treatment of asthma which comprises a nitrogen-containing tricyclic compound represented by the formula (I) or a quaternary ammonium salt thereof, or a pharmaceutically acceptable salt thereof; [wherein R1 represents a substituted or unsubstituted lower alkyl, or the like; R2 represents hydrogen, a substituted or unsubstituted lower alkyl, or the like; R3 and R4 are the same or different and each represents hydrogen, lower alkyl, or the like; n represents 0 or 1; X represents -(CH2)2-, or the like; and Y represents the formula (II) (wherein W represents CH or a nitrogen atom; Z1 and Z2 are the same or different and each represents hydrogen, a substituted or unsubstituted lower alkyl, or the like; and Z3 represents hydrogen, a substituted or unsubstituted lower alkyl, or the like)] as an active ingredient.

  本发明提供了一种用于预防和/或治疗哮喘的制剂，其活性成分包括一种能够抑制参与 GPR4 信号转导功能的物质。本发明还提供了一种用于预防和/或治疗哮喘的制剂，该制剂包含由式（I）代表的含氮三环化合物或其季铵盐，或其药学上可接受的盐； [其中 R1 代表取代或未取代的低级烷基或类似物；R2 代表氢、取代或未取代的低级烷基或类似物；R3 和 R4 相同或不同，各自代表氢、低级烷基或类似物；n 代表 0 或 1；X 代表-(CH2)2- 或类似物；Y 代表式 (II) (其中 W 代表 CH 或氮原子；Z1 和 Z2 相同或不同，各自代表氢、取代或未取代的低级烷基或类似物；Z3 代表氢、取代或未取代的低级烷基或类似物）]作为活性成分。
• EP1537879
  申请人：——

  公开号：——

  公开（公告）日：——
• PREVENTIVE AND/OR THERAPEUTIC DRUGS FOR ITCH
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1547616A1

  公开（公告）日：2005-06-29

  The present invention provides an agent for prevention and/or treatment of itching comprising a substance capable of suppressing the function involved in signal transduction of GPR4 as an active ingredient. It also provides a nitrogen-containing tricyclic compound represented by the formula (I) or a quaternary ammonium salt thereof, or a pharmaceutically acceptable salt thereof; [wherein R1 represents substituted or unsubstituted lower alkyl, etc.; R2 represents hydrogen, substituted or unsubstituted lower alkyl, etc.; R3 and R4 are the same or different and each represents hydrogen, lower alkyl, etc.; n represents 0 or 1; X represents -(CH2)2-, etc.; and Y represents the formula (II); (wherein W represents CH or a nitrogen atom; Z1 and Z2 are the same or different and each represents hydrogen, substituted or unsubstituted lower alkyl, etc.; and Z3 represents hydrogen, substituted or unsubstituted lower alkyl, etc.)]

  本发明提供了一种用于预防和/或治疗瘙痒的药剂，包括一种能够抑制参与GPR4信号转导功能的物质作为活性成分。它还提供了一种由式（I）表示的含氮三环化合物或其季铵盐，或其药用可接受盐；[其中R1代表取代或未取代的较低烷基等；R2代表氢、取代或未取代的较低烷基等；R3和R4相同或不同，各自代表氢、较低烷基等；n代表0或1；X代表-(CH2)2-等；Y代表式（II）；（其中W代表CH或氮原子；Z1和Z2相同或不同，各自代表氢、取代或未取代的较低烷基等；Z3代表氢、取代或未取代的较低烷基等）]