tert-butyl 1-{4-[(diethylamino)carbonyl]phenyl}-6-methoxy-7-(pyridin-3-yloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate | 857252-60-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: tert-butyl 1-{4-[(diethylamino)carbonyl]phenyl}-6-methoxy-7-(pyridin-3-yloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate
• 英文别名: tert-butyl 1-[4-(diethylcarbamoyl)phenyl]-6-methoxy-7-pyridin-3-yloxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
• CAS: 857252-60-9
• 化学式: C₃₁H₃₇N₃O₅
• 分子量: 531.652
• InChiKey: PUPJPJWWLSYUPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  39
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl 1-{4-[(diethylamino)carbonyl]phenyl}-7-hydroxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carboxylate 、 3-吡啶硼酸 在 4 A molecular sieve 、 copper diacetate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以89%的产率得到tert-butyl 1-{4-[(diethylamino)carbonyl]phenyl}-6-methoxy-7-(pyridin-3-yloxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate
  参考文献：
  名称：

  [EN] 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF
  [FR] DERIVES DE 1,2,3,4-TETRAHYDROISOQUINOLINE, LEURS PREPARATIONS ET LEURS UTILISATIONS

  摘要：

  通式（I）的化合物，其中D、E、R1、R2、R3、R4、R5、R6和R7如规范中所定义，以及盐、对映体以及包括这些化合物的药物组合物已经制备。它们在治疗中很有用，特别是在疼痛管理中。

  公开号：

  WO2005061484A1

文献信息

• AMIDE COMPOUND
  申请人：Setoh Masaki

  公开号：US20100041891A1

  公开（公告）日：2010-02-18

  A compound having GPR52 agonist activity or a salt thereof is provided. The compound can be provided as a preventive/therapeutic agent for schizophrenia or the like. The compound is represented by the following formula: wherein A represents —CONR a — or —NR a CO—, R a represents a hydrogen atom or the like, B represents a hydrogen atom or the like, a ring Cy1 represents a six-membered aromatic ring which may have one or more substituents in addition to a group represented by -A-B, a ring Cy2 represents a six-membered ring which may be substituted with a halogen atom or the like, a ring Cy3 represents a five- or six-membered ring which may have one or more substituents; X represents C 1-2 alkylene or the like, m represents an integer of 0 to 2, and a ring Cy4 represents a six-membered aromatic ring which may have one or more substituents.

  提供具有GPR52激动剂活性或其盐的化合物。该化合物可作为预防/治疗精神分裂症等疾病的药物。该化合物由以下公式表示：其中A代表—CONRa—或—NRaCO—，Ra代表氢原子或类似物质，B代表氢原子或类似物质，环Cy1代表一个六元芳香环，除了由-A-B表示的基团外，可能有一个或多个取代基，环Cy2代表一个六元环，可能被卤素原子或类似物质取代，环Cy3代表一个有一个或多个取代基的五元或六元环；X代表C1-2烷基或类似物质，m代表0到2之间的整数，环Cy4代表一个六元芳香环，可能有一个或多个取代基。
• 1,2,3,4-Tetrahydroisoquinoline Derivatives, Preparations Thereof and Uses Thereof
  申请人：Ripper Justin

  公开号：US20090023728A1

  公开（公告）日：2009-01-22

  Compounds of general formula (I) wherein D, E, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are as defined in the specification, as well as salts, enantiomers thereof and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  通式（I）的化合物制备，其中D、E、R1、R2、R3、R4、R5、R6和R7如规范所定义，以及其盐，对映异构体和包括该化合物的制药组合物。它们在治疗中有用，特别是在疼痛管理中。
• [EN] AMIDE COMPOUND<br/>[FR] COMPOSÉ AMIDE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010018874A1

  公开（公告）日：2010-02-18

  A compound having GPR52 agonist activity or a salt thereof is provided. The compound can be provided as a preventive / therapeutic agent for schizophrenia or the like. The compound is represented by the following formula (Ia): wherein A represents -CONR2- or -NR2CO-, R2 represents a hydrogen atom or the like, B represents a hydrogen atom or the like, a ring CyI represents a six-membered aromatic ring which may have one or more substituents in addition to a group represented by -A-B, a ring Cy2 represents a six-membered ring which may be substituted with a halogen atom or the like, a ring Cy3 represents a five- or six-membered ring which may have one or more substituents; X represents C1-2 alkylene or the like, m represents an integer of 0 to 2, and a ring Cy4 represents a six-membered aromatic ring which may have one or more substituents.
• [EN] 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATIONS THEREOF AND USES THEREOF<br/>[FR] DERIVES DE 1,2,3,4-TETRAHYDROISOQUINOLINE, LEURS PREPARATIONS ET LEURS UTILISATIONS
  申请人：ASTRAZENECA AB

  公开号：WO2005061484A1

  公开（公告）日：2005-07-07

  Compounds of general formula (I) wherein D, E, R1, R2, R3, R4, R5, R6 and R7 are as defined in the specification, as well as salts, enantiomers thereof and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  通式（I）的化合物，其中D、E、R1、R2、R3、R4、R5、R6和R7如规范中所定义，以及盐、对映体以及包括这些化合物的药物组合物已经制备。它们在治疗中很有用，特别是在疼痛管理中。