benzyl 1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate | 620948-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: benzyl 1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
• 英文别名: 1,2,3,5-Tetrahydro-benzo[e][1,4]diazepine-4-carboxylic acid benzyl ester；benzyl 1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
• CAS: 620948-77-8
• 化学式: C₁₇H₁₈N₂O₂
• 分子量: 282.342
• InChiKey: YLYFBYFNMSOBJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl 1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate 在 sodium nitrite 、 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Tool Compounds Based on WAY163909, a 5-HT_2C Receptor Agonist

  摘要：

  The development of probe molecules that can be used to investigate G protein-coupled receptor (GPCR) pharmacology, trafficking, and relationship with other GPCRs is an important and growing area of research. Here, we report the synthesis of analogues of the known selective serotonin (5-HT) 5-HT2C receptor (5-HT2CR) agonist WAY163909 which were designed to allow for the attachment of a second ligand, signaling or reporter molecules, as well as immobilization agents to the parent molecule with the maintenance of agonist activity. This goal was accomplished by the synthesis of novel molecules in which sites a-d were modified and resulting compounds were analyzed pharmacologically in vitro.

  DOI：

  10.1021/acschemneuro.6b00439
• 作为产物：
  描述：

  3,4-二氢-1H-苯并[e][1,4]二氮杂卓-2,5-二酮 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 42.0h， 生成 benzyl 1,2,3,5-tetrahydro-4H-1,4-benzodiazepine-4-carboxylate
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships of Tool Compounds Based on WAY163909, a 5-HT_2C Receptor Agonist

  摘要：

  The development of probe molecules that can be used to investigate G protein-coupled receptor (GPCR) pharmacology, trafficking, and relationship with other GPCRs is an important and growing area of research. Here, we report the synthesis of analogues of the known selective serotonin (5-HT) 5-HT2C receptor (5-HT2CR) agonist WAY163909 which were designed to allow for the attachment of a second ligand, signaling or reporter molecules, as well as immobilization agents to the parent molecule with the maintenance of agonist activity. This goal was accomplished by the synthesis of novel molecules in which sites a-d were modified and resulting compounds were analyzed pharmacologically in vitro.

  DOI：

  10.1021/acschemneuro.6b00439

文献信息

• [1,4]Diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Wyeth

  公开号：US20040009970A1

  公开（公告）日：2004-01-15

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: 1 where R 1 through R 7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I的化合物或其药用可接受的盐：其中R1至R7在此处定义。公式I的化合物是5HT2c受体激动剂或部分激动剂，可用于治疗多种疾病。
• [1,4]Diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Ramamoorthy Sivaramakrishnan P.

  公开号：US20070004707A1

  公开（公告）日：2007-01-04

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: where R 1 through R 7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I的化合物或其药学上可接受的盐：其中R1到R7在此定义。公式I的化合物是5HT2c激动剂或部分激动剂，并且可用于治疗各种疾病。
• [1,4]diazepino[6,7,1-IJ]quinoline derivatives as antipsychotic and antiobesity agents
  申请人：Wyeth LLC

  公开号：US07687620B2

  公开（公告）日：2010-03-30

  Compounds of Formula I or a pharmaceutically acceptable salt thereof are provided: where R1 through R7 are defined herein. The compounds of Formula I are 5HT2c agonists or partial agonists, and are useful for treating a variety of disorders.

  提供公式I或其药学上可接受的盐的化合物：其中R1到R7在此定义。公式I的化合物是5HT2c激动剂或部分激动剂，可用于治疗各种疾病。
• (1,4)DIAZEPINO(6,7,1-IJ)QUINOLINE DERIVATIVES AS ANTI PSYCHOTIC AND ANTIOBESITY AGENTS
  申请人：Wyeth

  公开号：EP1497293B1

  公开（公告）日：2008-06-11
• US7129237B2
  申请人：——

  公开号：US7129237B2

  公开（公告）日：2006-10-31