(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-(3-ethoxy-benzyl)-amine | 610286-41-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并二恶烷
• 英文名称: (2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-(3-ethoxy-benzyl)-amine
• 英文别名: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(3-ethoxyphenyl)methanamine
• CAS: 610286-41-4
• 化学式: C₁₈H₂₁NO₃
• 分子量: 299.37
• InChiKey: JADVDKZGSDIOEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  39.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-(3-ethoxy-benzyl)-amine 、 4-bromomethyl-5-butyl-6-phenyl-pyrimidine 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 (5-butyl-6-phenyl-pyrimidin-4-ylmethyl)-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-(3-ethoxy-benzyl)-amine
  参考文献：
  名称：

  [EN] NEW ARYL IMIDAZOLES AND RELATED COMPOUNDS AS C5A RECEPTOR MODULATORS
  [FR] ARYL IMIDAZOLES ET COMPOSES ASSOCIES, MODULATEURS DE RECEPTEUR C5A

  摘要：

  该发明提供了式（I）中的芳基取代咪唑、吡唑、吡啶和相关化合物，其中由式（A）表示的环系统是一个5成员杂芳基环系统，在该环系统中x为0，A从碳和杂原子氮、氧和硫中选择，E和G分别为碳或氮，前提是5成员杂芳基环系统不含超过3个杂原子或超过1个氧或硫原子，或者是一个6成员杂芳基环系统，在该环系统中x为1，A、B、E和G分别从碳和氮中选择，前提是6成员杂芳基环系统不含超过3个氮原子。其余变量Ar1、Ar2、R、R1、R2、R3、R4、R5、R6、y和z在此处定义。这些化合物是C5a受体的配体。该发明的优选化合物具有高亲和力结合到C5a受体，并且在C5a受体上表现为中性拮抗剂或逆激动剂活性。该发明还涉及包含这些化合物的药物组合物。它进一步涉及使用这些化合物治疗各种炎症和免疫系统疾病。

  公开号：

  WO2003082829A1

文献信息

• [EN] AMINO METHYL IMIDAZOLES AS C5A RECEPTOR MODULATORS<br/>[FR] AMINOMETHYL IMIDAZOLES EN TANT QUE MODULATEURS DE RECEPTEURS C5A
  申请人：NEUROGEN CORP

  公开号：WO2004018460A1

  公开（公告）日：2004-03-04

  Amino methyl imidazoles of Formula (I) are provided: wherein R, Rl, R2, R3, R4, R5, and R6 are defined herein.Such compounds are ligands of C5a receptors. Preferred compounds of Formula (I) bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. Additionally, this invention provides labeled amino methyl imidazoles compounds, which are useful as probes for the localization of C5a receptors.

  本发明提供了化学式（I）中的氨甲基咪唑衍生物：其中R，Rl，R2，R3，R4，R5和R6如本文所定义。这些化合物是C5a受体的配体。化学式（I）的优选化合物具有高亲和力与C5a受体结合，并在C5a受体上表现为中性拮抗剂或逆激动剂活性。本发明还涉及包含这些化合物的制药组合物。它进一步涉及使用这些化合物治疗各种炎症、心血管和免疫系统疾病。此外，本发明提供了标记的氨甲基咪唑衍生物化合物，它们可用作定位C5a受体的探针。
• Amino methyl imidazoles as C5a receptor modulators
  申请人：Neurogen Corporation

  公开号：US20040082577A1

  公开（公告）日：2004-04-29

  Amino methyl imidazoles of Formula I are provided: 1 wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. Additionally, this invention provides labeled amino methyl imidazoles compounds, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的氨甲基咪唑化合物：1其中R，R1，R2，R3，R4，R5和R6的定义如本文所述。此类化合物是C5a受体的配体。式I的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现为中性拮抗剂或逆激动剂活性。本发明还涉及包含此类化合物的制药组合物。此外，本发明还涉及标记的氨甲基咪唑化合物，其可用作C5a受体定位的探针。本发明还提供了使用这类化合物治疗各种炎症、心血管和免疫系统疾病的方法。
• Aryl imidazoles and related compounds as C5a receptor modulators
  申请人：Neurogen Corporation

  公开号：US20040116424A1

  公开（公告）日：2004-06-17

  The invention provides Aryl substituted imidazoles, pyrazoles, pyridizines and related compounds of the Formula 1 where the ring system represented by 2 is a 5 membered heteroaryl ring system, in which x is 0, A is chosen from carbon and heteroatoms nitrogen, oxygen, and sulfur, and E and G are independently carbon or nitrogen, provided that the 5 membered heteroaryl ring system does not contain more than 3 heteroatoms or more than 1 oxygen or sulfur atom, or a 6 membered heteroaryl ring system, in which x is 1, A, B, E, and G are independently chosen from carbon and nitrogen, provided that the 6 membered heteroaryl ring system does not contain more than 3 nitrogen atoms. The remaining variables, Ar 1 , Ar 2 , R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , y and z are defined herein Such compounds are ligands of C5a receptors. Preferred compounds of the invention act bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptos. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory and immune system disorders.

  本发明提供了Formula1的芳基取代咪唑，吡唑，吡啶并咪唑和相关化合物，其中由2表示的环系统是一个五元杂环芳基环系统，在其中x为0，A选择自碳和杂原子氮，氧和硫，并且E和G独立地为碳或氮，前提是五元杂环芳基环系统不含有超过3个杂原子或超过1个氧或硫原子，或者是一个六元杂环芳基环系统，在其中x为1，A，B，E和G独立地选择自碳和氮，前提是六元杂环芳基环系统不含有超过3个氮原子。其余变量，Ar1，Ar2，R，R1，R2，R3，R4，R5，R6，y和z在此定义。这些化合物是C5a受体的配体。本发明的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中和拮抗剂或反向激动剂活性。本发明还涉及包含这些化合物的制药组合物。它还涉及使用这些化合物治疗各种炎症和免疫系统紊乱。
• Amino methyl imidazoles and related compounds as C5a receptor modulators
  申请人：Thurkauf Andrew

  公开号：US20070212297A1

  公开（公告）日：2007-09-13

  Amino methyl imidazoles of Formula I are provided: wherein R, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. Additionally, this invention provides labeled amino methyl imidazoles compounds, which are useful as probes for the localization of C5a receptors.

  提供了式I的氨甲基咪唑：其中R，R1，R2，R3，R4，R5和R6如本文所定义。这些化合物是C5a受体的配体。式I的优选化合物以高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这种化合物的制药组合物。它还涉及使用这种化合物治疗各种炎症，心血管和免疫系统疾病。此外，本发明提供了标记的氨甲基咪唑化合物，可用作C5a受体定位的探针。
• New Aryl Imidazoles and Related Compounds as C5a Receptor Modulators
  申请人：Luke P. George

  公开号：US20070208048A1

  公开（公告）日：2007-09-06

  The invention provides Aryl substituted imidazoles, pyrazoles, pyridizines and related compounds of the Formula where the ring system represented by is a 5 membered heteroaryl ring system, in which x is 0, A is chosen from carbon and heteroatoms nitrogen, oxygen, and sulfur, and E and G are independently carbon or nitrogen provided that the 5 membered heteroaryl ring system does not contain more than 3 heteroatoms or more than 1 oxygen or sulfur atom, or a 6 membered heteroaryl ring system, in which x is 1, A, B, E, and G are independently chosen from carbon and nitrogen, provided that the 6 membered heteroaryl ring system does not contain more than 3 nitrogen atoms. The remaining variables, Ar 1 , Ar 2 , R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , y and z are defined herein Such compounds are ligands of C5a receptors. Preferred compounds of the invention act bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. This invention also relates to pharmaceutical compositions comprising such compounds. It further relates to the use of such compounds in treating a variety of inflammatory and immune system disorders.

  本发明提供了Aryl取代的咪唑、吡唑、吡啶并相关化合物的公式，其中由环系表示的是一个5元杂环芳基环系，其中x为0，A选择自碳和杂原子氮、氧和硫，而E和G独立地为碳或氮，但5元杂环芳基环系不含有超过3个杂原子或超过1个氧或硫原子，或者是一个6元杂环芳基环系，其中x为1，A、B、E和G独立地选择自碳和氮，但6元杂环芳基环系不含有超过3个氮原子。其余变量Ar1、Ar2、R、R1、R2、R3、R4、R5、R6、y和z在此定义。这些化合物是C5a受体的配体。本发明的优选化合物具有高亲和力结合到C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含这种化合物的制药组合物。它还涉及使用这些化合物治疗各种炎症和免疫系统疾病。