(4-(3-nitrophenyl)pyrimidin-2-yl)-(2-(3,4-dimethoxyphenyl)ethyl)amine | 1185999-39-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (4-(3-nitrophenyl)pyrimidin-2-yl)-(2-(3,4-dimethoxyphenyl)ethyl)amine
• 英文别名: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-nitrophenyl)pyrimidin-2-amine
• CAS: 1185999-39-6
• 化学式: C₂₀H₂₀N₄O₄
• 分子量: 380.403
• InChiKey: QVWGQOSMKGVGLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (4-(3-nitrophenyl)pyrimidin-2-yl)-(2-(3,4-dimethoxyphenyl)ethyl)amine 在 palladium-carbon 氢气 、 silica gel 、 ethyl acetate n-hexane 作用下， 以 Tetrahydrofuran ethanol 为溶剂， 反应 24.0h， 以to give the title compound (1.2 g, quantitative)的产率得到(4-(3-aminophenyl)pyrimidin-2-yl)-(2-(3,4-dimethoxyphenyl)ethyl)amine
  参考文献：
  名称：

  AMIDE COMPOUND

  摘要：

  本发明旨在提供一种预防或治疗精神分裂症等疾病的药物，其含有具有GPR52激动剂活性的本发明化合物。化合物的结构式如下（I）或其盐：其中，A为—CONH或类似物，B为氢原子或取代基，环Cy1为苯环或类似物，X1、X2和X3分别独立地为—CH═或—N═或类似物，环Cy2为碳环或类似物，Z为碳原子或氮原子，L为键或类似物，n为1或2，Rb为氢原子或取代基，环Cy3为苯环或类似物。

  公开号：

  US20110130384A1
• 作为产物：
  描述：

  3-硝基苯硼酸 在 四(三苯基膦)钯 sodium carbonate 、 N,N-二异丙基乙胺 作用下， 以 乙二醇二甲醚 、 水 、 正丁醇 为溶剂， 反应 13.5h， 生成 (4-(3-nitrophenyl)pyrimidin-2-yl)-(2-(3,4-dimethoxyphenyl)ethyl)amine
  参考文献：
  名称：

  AMIDE COMPOUND

  摘要：

  本发明旨在提供一种预防或治疗精神分裂症等疾病的药物，包含具有GPR52激动剂活性的本发明化合物。该化合物由以下式（I）或其盐表示：其中，A为-CONH或类似物，B为氢原子或取代基，环Cy1为苯环或类似物，X1、X2和X3分别独立为-CH=或-N=或类似物，环Cy2为碳环或类似物，Z为碳原子或氮原子，L为键或类似物，n为1或2，Rb为氢原子或取代基，环Cy3为苯环或类似物。

  公开号：

  EP2298731A1

文献信息

• COMPOUND HAVING 6-MEMBERED AROMATIC RING
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2253618A1

  公开（公告）日：2010-11-24

  An object of the present invention is to provide an agent for preventing or treating schizophrenia or the like, wherein the compound of the present invention has GPR52 agonist activity. [Means] A compound represented by the following formula (I) or salt thereof: wherein A represents -(CH2)n-CO-NRa- (n is an integer of 0 to 3) or -NRa-CO-, B represents a hydrogen atom, halogen atom, cyano group, hydroxy group, or the like, X1, X2, X3, and X4 represent the same or different -CRx=, or -N=, Y represents -O-, -S-, -S(O)-, -S(O)2-, or NRy-, Z represents a bond, methylene, or ethylene, Ar1 represents a five- to ten-membered aromatic ring (except for thiazole) which may be substituted with one or more substituents selected from halogen atoms, optionally halogenated C1-6 alkyl groups, and the like, Ar2 represents a five- to six-membered aromatic ring which may be substituted with one or more substituents selected from halogen atoms, optionally halogenated C1-6 alkyl groups, and the like, and which may be condensed with an optionally substituted five-to six-membered ring, and Ra, Rb, Rx, and Ry represent the same or different hydrogen atom, halogen atoms, or the like].

  本发明的一个目的是提供一种用于预防或治疗精神分裂症或类似疾病的药剂，其中本发明的化合物具有GPR52激动剂活性。[意味着]由以下式(I)表示的化合物或其盐：其中A代表-(CH2)n-CO-NRa-（n为0到3的整数）或-NRa-CO-，B代表氢原子，卤素原子，氰基，羟基等，X1，X2，X3和X4代表相同或不同的-CRx=或-N=，Y代表-O-，-S-，-S(O)-，-S(O)2-，或NRy-，Z代表键，亚甲基，或乙烯基，Ar1代表一个五至十元芳香环（除噻唑外），可以用一个或多个卤素原子、可选择的卤代C1-6烷基等取代基取代，Ar2代表一个五至六元芳香环，可以用一个或多个卤素原子、可选择的卤代C1-6烷基等取代基取代，可以与一个可选择的取代的五至六元环螯合，并且Ra、Rb、Rx和Ry代表相同或不同的氢原子、卤素原子等。
• [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.
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2298731A1

  公开（公告）日：2011-03-23

  The present invention aims to provide a prophylactic or therapeutic agent for schizophrenia and the like, containing the compound of the present invention having a GPR52 agonist activity. A compound represented by the following formula (I) or a salt thereof: wherein, A is -CONH or the like, B is a hydrogen atom or a substituent, ring Cy1 is a benzene ring or the like, X1, X2 and X3 are each independently -CH= or -N= or the like, ring Cy2 is a carbon ring or the like, Z is a carbon atom or a nitrogen atom, L is a bond or the like, n is 1 or 2, Rb is a hydrogen atom or a substituent, and ring Cy3 is a benzene ring or the like.

  本发明旨在提供一种预防或治疗精神分裂症等疾病的药物，包含具有GPR52激动剂活性的本发明化合物。该化合物由以下式（I）或其盐表示：其中，A为-CONH或类似物，B为氢原子或取代基，环Cy1为苯环或类似物，X1、X2和X3分别独立为-CH=或-N=或类似物，环Cy2为碳环或类似物，Z为碳原子或氮原子，L为键或类似物，n为1或2，Rb为氢原子或取代基，环Cy3为苯环或类似物。