(S)-ethyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine | 354584-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: (S)-ethyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
• 英文别名: (S)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine；(1S)-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
• CAS: 354584-66-0
• 化学式: C₁₂H₁₇N
• 分子量: 175.274
• InChiKey: YCQQIGNKPQHCNT-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-ethyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine 在 哌啶 、 氢氧化钾 、 三氯化铝 、 草酰氯 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 30.0h， 生成 (14S)-13-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[12.7.1.02,11.04,9.018,22]docosa-1(21),2(11),3,5,7,9,18(22),19-octaen-12-one
  参考文献：
  名称：

  基于对映异构内酰胺构型控制的新型轴向手性NADH模型的合理设计

  摘要：

  描述了基于对位异构内酰胺构型控制的新型轴向手性NADH模型的制备。通过安装在试剂2的内酰胺部分上的第二手性元素的存在来实现对该手性轴的构型控制。还原苯甲酰甲酸酯甲酯可生成扁桃酸甲酯，产率为89％，ee为92％。该结果表明，围绕C3CO键的手性轴是负责此仿生模型观察到的高对映选择性的主要构型元素。

  DOI：

  10.1016/s0040-4039(01)00555-x
• 作为产物：
  描述：

  (S)-N-(1,2,3,4-tetrahydro-naphthalen-1-yl)acetamide 在 硼烷 、 碘 作用下， 反应 12.0h， 生成 (S)-ethyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amine
  参考文献：
  名称：

  基于对映异构内酰胺构型控制的新型轴向手性NADH模型的合理设计

  摘要：

  描述了基于对位异构内酰胺构型控制的新型轴向手性NADH模型的制备。通过安装在试剂2的内酰胺部分上的第二手性元素的存在来实现对该手性轴的构型控制。还原苯甲酰甲酸酯甲酯可生成扁桃酸甲酯，产率为89％，ee为92％。该结果表明，围绕C3CO键的手性轴是负责此仿生模型观察到的高对映选择性的主要构型元素。

  DOI：

  10.1016/s0040-4039(01)00555-x

文献信息

• BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：Katayama Seiji

  公开号：US20130116227A1

  公开（公告）日：2013-05-09

  Disclosed is a novel biaryl amide derivative represented by formula (1) and having an affinity for the aldosterone receptor; also disclosed is a pharmaceutically acceptable salt thereof. (In the formula, A is any of the groups represented by formula (a); L is —CONH—, etc.; R 1 is a substitutable aminosulfonyl group, etc.; R 2 is a hydrogen atom, etc.; R 3 is a hydrogen atom, etc.; R 4 is a hydrogen atom, a halogen atom, hydroxy group, a substitutable amino group, a substitutable C 1-6 alkoxy group, a substitutable 4- to 7-membered cyclic amino group, etc.; R 5a , R 5b and R 5c are each independently hydrogen atoms, etc.; R 6 is a halogen atom, a cyano group, etc.; R 7 and R 8 are each independently a hydrogen atom, etc.; and m is an integer such as 0.)

  揭示了一种表示为公式（1）的新型联苯酰胺衍生物，具有与醛固酮受体的亲和力；还揭示了其药用可接受的盐。（在该公式中，A是由公式（a）表示的任何基团之一；L是—CONH—等；R1是可替代的氨基磺酰基等；R2是氢原子等；R3是氢原子等；R4是氢原子、卤原子、羟基、可替代的氨基基团、可替代的C1-6烷氧基、可替代的4-到7-成员环氨基基团等；R5a、R5b和R5c各自独立地是氢原子等；R6是卤原子、氰基等；R7和R8各自独立地是氢原子等；m是整数，例如0。）
• 4,5-Disubstituted-2-aryl pyrimidines
  申请人：Maynard D. George

  公开号：US20050277654A1

  公开（公告）日：2005-12-15

  4,5-disubstituted-2-arylpyrimidines of Formula I and Formula II are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptors. Preferred compounds of Formula I and II bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 4,5-disubstituted-2-arylpyrimidines, which are useful as probes for the localization of C5a receptors.

  提供公式I和公式II的4,5-二取代-2-芳基嘧啶，其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。公式I和II的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性拮抗剂或反向激动剂活性。本发明还涉及包含此类化合物的制药组合物，以及使用此类化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的4,5-二取代-2-芳基嘧啶，用于定位C5a受体。
• 3-substituted-6-aryl pyridines
  申请人：Neurogen Corporation

  公开号：US20040158067A1

  公开（公告）日：2004-08-12

  3-substituted-6-aryl pyridines of Formula I are provided: 1 wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5a receptor. Preferred compounds of Formula I bind to C5a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物： 其中，R1、R2、R3、R8、R9、A和Ar的定义如下。这些化合物是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受体上表现出中性拮抗剂或反向激动剂的活性。本发明还涉及包含这些化合物的制药组合物，以及使用这些化合物治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明还提供了标记的3-取代-6-芳基吡啶化合物，可用作C5a受体定位的探针。
• 1-aryl-4-substituted isoquinolines
  申请人：Lee Kyungae

  公开号：US20070249665A1

  公开（公告）日：2007-10-25

  1-aryl-4-substituted isoquinoline or 1-aryl-3,4-disubstituted isoquinoline analogues of Formula I and Formula II, as follows: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar are defined herein. Such compounds are ligands of C5 a receptors. Preferred compounds of Formula I and II bind to C5 a receptors with high affinity and exhibit neutral antagonist or inverse agonist activity at C5 a receptors. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 1-aryl-4-substituted isoquinolines or 1-aryl-3,4-disubstituted isoquinolines, which are useful as probes for the localization of C5 a receptors.

  以下为翻译结果： 本发明提供了公式I和公式II的1-芳基-4-取代异喹啉或1-芳基-3,4-二取代异喹啉类似物，其中R1、R2、R3、R8、R9、A和Ar在此定义。这些化合物是C5a受体的配体。公式I和II的优选化合物具有高亲和力结合C5a受体，并在C5a受体上表现出中性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，以及使用这些化合物治疗多种炎症、心血管和免疫系统疾病的用途。此外，本发明还提供了标记的1-芳基-4-取代异喹啉或1-芳基-3,4-二取代异喹啉，可用作定位C5a受体的探针。
• 3-SUBSTITUTED-6-ARYL PYRIDINES
  申请人：Hutchinson Alan J.

  公开号：US20110281837A1

  公开（公告）日：2011-11-17

  3-substituted-6-aryl pyridines of Formula I are provided: wherein R 1 , R 2 , R 3 , R 8 , R 9 , A and Ar 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. The present invention also relates to pharmaceutical compositions comprising such compounds, and to the use of such compounds in treating a variety of inflammatory, cardiovascular, and immune system disorders. In addition, the present invention provides labeled 3-substituted-6-aryl pyridines, which are useful as probes for the localization of C5a receptors.

  本发明提供了式I的3-取代-6-芳基吡啶化合物：其中R1、R2、R3、R8、R9、A和Ar的定义在此处。这些化合物是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些化合物的制药组合物，以及将这些化合物用于治疗各种炎症、心血管和免疫系统疾病的用途。此外，本发明提供了标记的3-取代-6-芳基吡啶，可用作C5a受体定位的探针。