4-[2-dimethylamino-1-(benzoyloxycyclohexyl)-ethyl]-phenyl benzoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-[2-dimethylamino-1-(benzoyloxycyclohexyl)-ethyl]-phenyl benzoate
• 英文别名: 4-[2-dimethylamino-1-(1-benzoyloxycyclohexyl)-ethyl]-phenyl benzoate；[4-[1-(1-Benzoyloxycyclohexyl)-2-(dimethylamino)ethyl]phenyl] benzoate
• 化学式: C₃₀H₃₃NO₄
• 分子量: 471.596
• InChiKey: LUBUEPQQOJOTMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  35
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[2-dimethylamino-1-(benzoyloxycyclohexyl)-ethyl]-phenyl benzoate 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 4-[2-dimethylamino-1-(benzoyloxycyclohexyl)-ethyl]-phenyl benzoate hydrochloride
  参考文献：
  名称：

  COMPOUNDS USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION

  摘要：

  公开号：

  EP1897867B1
• 作为产物：
  描述：

  O-去甲文拉法辛 、 苯甲酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以60.9%的产率得到4-[2-dimethylamino-1-(benzoyloxycyclohexyl)-ethyl]-phenyl benzoate
  参考文献：
  名称：

  COMPOUNDS USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION

  摘要：

  公开号：

  EP1897867B1

文献信息

• COMPOUNDS FOR INHIBITION OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE REUPTAKE OR FOR TREATMENT OF DEPRESSION DISORDERS, THEIR PREPARATION PROCESSES AND USES THEREOF
  申请人：Zhang Luping

  公开号：US20090118368A1

  公开（公告）日：2009-05-07

  The present invention discloses compounds of formula (I), their optical isomers or pharmaceutically acceptable salts thereof, their preparation and uses thereof, wherein the definitions of R1, R2, R3 and R4 are shown in the description. These compounds are optical isomers or racemic mixtures. After these compounds are uptaken, they are metabolically transformated in vivo into 1-[2-dimethylamino-1-(4-hydroxyphenyl)-ethyl]-cyclohexanol that has neuropharmacological activity, by interrupting reuptake of 5-hydroxytryptamine (5-HT) and/or norepinephrine (NA), which is used for treating diseases associated with central nerve system, such as depression, etc.

  本发明公开了式(I)的化合物，它们的光学异构体或其药学上可接受的盐，它们的制备和用途，其中R1、R2、R3和R4的定义如描述中所示。这些化合物是光学异构体或混合物。这些化合物被摄取后，在体内代谢转化为具有神经药理活性的1-[2-二甲基氨基-1-(4-羟基苯基)-乙基]-环己醇，通过中断5-羟色胺（5-HT）和/或去甲肾上腺素（NA）的再摄取，用于治疗与中枢神经系统相关的疾病，如抑郁症等。
• COMPOUNDS, PREPARATION PROCESS, AND USES THEREOF USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION ET AL.
  申请人：SHANDONG LUYE PHARMACEUTICAL CO., LTD.

  公开号：EP1897867A1

  公开（公告）日：2008-03-12

  The present invention discloses compounds of formula (I), their optical isomers or pharmaceutically acceptable salts thereof, their preparation and uses thereof, wherein the definitions of R1, R2, R3 and R4 are shown in the description. These compounds are optical isomers or racemic mixtures. After these compounds are uptaken, they are metabolically transformated in vivo into 1-[2-dimethylamino-1-(4-hydroxyphenyl)-ethyl]-cyclohexanol that has neuropharmacological activity, by interrupting reuptake of 5-hydroxytryptamine (5-HT) and/or norepinephrine (NA), which is used for treating diseases associated with central nerve system, such as depression, etc.

  本发明公开了式(I)化合物、它们的光学异构体或其药学上可接受的盐、它们的制备及其用途，其中 R1、R2、R3 和 R4 的定义如描述所示。这些化合物是光学异构体或外消旋混合物。这些化合物被吸收后，在体内代谢转化为 1-[2-二甲基氨基-1-（4-羟基苯基）-乙基]-环己醇，该物质具有神经药理学活性，可阻断 5-羟色胺（5-HT）和/或去甲肾上腺素（NA）的再摄取，用于治疗与中枢神经系统有关的疾病，如抑郁症等。
• US8178724B2
  申请人：——

  公开号：US8178724B2

  公开（公告）日：2012-05-15
• US8487132B2
  申请人：——

  公开号：US8487132B2

  公开（公告）日：2013-07-16
• COMPOUNDS USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION
  申请人：SHANDONG LUYE PHARMACEUTICAL CO., LTD.

  公开号：EP1897867B1

  公开（公告）日：2017-02-15