ethyl (1,2,3,4-tetrahydronaphthalen-1-yl)carbamate

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: ethyl (1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
• 英文别名: ethyl N-(1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
• 化学式: C₁₃H₁₇NO₂
• mdl: MFCD03073664
• 分子量: 219.283
• InChiKey: RUQOSAQQCDVMKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  ethyl (1,2,3,4-tetrahydronaphthalen-1-yl)carbamate 、 、 乙醚 在 LiAlH 、 氮气 、 盐酸 、 乙醚 、 二氯甲烷 、 水 、 Sodium sulfate-III 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以to give (S)-methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)amine as an oil的产率得到(S)-N-甲基-1,2,3,4-四氢萘-1-胺
  参考文献：
  名称：

  4,5-Disubstituted-2-aryl pyrimidines

  摘要：

  本发明提供了公式I和公式II的4,5-二取代-2-芳基嘧啶化合物，其中R1、R2、R3、R8、R9、A和Ar的定义如本文所述。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受体上表现为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，并将这些化合物用于治疗各种炎症、心血管和免疫系统疾病。此外，本发明提供了标记的4,5-二取代-2-芳基嘧啶化合物，可用作C5a受体的定位探针。

  公开号：

  US20100022516A1
• 作为产物：
  描述：

  1,2,3,4-四氢萘 、 氨基甲酸乙酯 在 (S,S)-(-)-2,2'-异亚丙基双(4-叔丁基-2-恶唑啉) 、 N-氟代双苯磺酰胺 、 copper(l) chloride 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以75%的产率得到ethyl (1,2,3,4-tetrahydronaphthalen-1-yl)carbamate
  参考文献：
  名称：

  铜催化的氧化苄基C（sp3）–H胺化反应：氨基甲酸苄酯的直接合成

  摘要：

  据报道，一种通过C–H活化获得氨基甲酸苄酯的新有效策略。催化量的Cu（I）/二亚胺配体与NFSI（（PhSO 2）2 NF）或F-TEDA-PF 6作为氧化剂和H 2 NCO 2 R作为胺源的组合使用直接导致在苄基位置形成C–N键。温和的反应条件和广泛的底物范围使该转化成为将泛在的氨基甲酸酯片段后期掺入烃中的有用方法。

  DOI：

  10.1039/d0cc05226d

文献信息

• [EN] 1-ARYL-4-SUBSTITUTED ISOQUINOLINES<br/>[FR] ISOQUINOLINES 1-ARYL-4-SUBSTITUEES
  申请人：NEUROGEN CORP

  公开号：WO2005110991A1

  公开（公告）日：2005-11-24

  1-Aryl-4-substituted isoquinolines analogues of Formula (I) and Formula (II) are provided, as follows : wherein R1, R2, R3, R8, R9, 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 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, which are useful as probes for the localization of C5a receptors.

  提供了Formula (I)和Formula (II)的1-芳基-4-取代异喹啉类似物，具体如下：其中R1、R2、R3、R8、R9、A和Ar在此处定义。这些化合物是C5a受体的配体。Formula (I)和(II)的优选化合物与C5a受体结合亲和力高，并在C5a受体上表现为中性拮抗剂或逆向激动剂活性。本发明还涉及包含这些化合物的药物组合物，以及利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，本发明提供了标记的1-芳基-4-取代异喹啉，可用作C5a受体的定位探针。
• 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。