1-(4-fluorobenzyl)-N-(5-(1-(4-(trifluoromethyl)phenyl)piperidin-4-yloxy)-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine | 1152424-89-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-(4-fluorobenzyl)-N-(5-(1-(4-(trifluoromethyl)phenyl)piperidin-4-yloxy)-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine
• 英文别名: 1-[(4-fluorophenyl)methyl]-N-[5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxy-2,3-dihydro-1H-inden-1-yl]piperidin-4-amine
• CAS: 1152424-89-9
• 化学式: C₃₃H₃₇F₄N₃O
• 分子量: 567.67
• InChiKey: IIYPLRFMIACDPN-UHFFFAOYSA-N

物化性质

• 沸点：
  651.2±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  27.7
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(5-(1-(4-(trifluoromethyl)phenyl)piperidin-4-yloxy)-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine trihydrochloride 、 4-氟溴苄 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到1-(4-fluorobenzyl)-N-(5-(1-(4-(trifluoromethyl)phenyl)piperidin-4-yloxy)-2,3-dihydro-1H-inden-1-yl)piperidin-4-amine
  参考文献：
  名称：

  [EN] CARBOXAMIDE, SULFONAMIDE AND AMINE COMPOUNDS FOR METABOLIC DISORDERS
  [FR] COMPOSÉS DE CARBOXAMIDE, DE SULFONAMIDE ET D'AMINE POUR DES TROUBLES MÉTABOLIQUES

  摘要：

  揭示了羧酰胺、磺胺酰胺和胺化合物，以及药物组合物和使用方法。其中一种实施例是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所披露的化合物可以激活AMPK途径，并可用于治疗与代谢有关的疾病和症状。

  公开号：

  WO2009065131A1

文献信息

• AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US08119809B2

  公开（公告）日：2012-02-21

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R1, R2, R4, E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺化合物，以及制备其药物组合物和使用方法。其中一种实施例是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所述的化合物可以激活AMPK途径，并可用于治疗与代谢相关的疾病和症状。
• AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same
  申请人：Hong Hui

  公开号：US20120115838A1

  公开（公告）日：2012-05-10

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R 1 , R 2 , R 4 , E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺类化合物，以及药物组合物和使用方法。其中一种实施方式是具有以下结构的化合物，其中R1、R2、R4、E、T、n和x如本文所述。在某些实施方式中，本文所披露的化合物可以激活AMPK通路，并可用于治疗代谢相关的疾病和症状。
• Carboxamide, Sulfonamide and Amine Compounds and Methods for Using Them
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US20140378429A1

  公开（公告）日：2014-12-25

  The disclosure relates particularly to certain carboxamide, sulfonamide and amine compounds and pharmaceutical compositions thereof, and to methods of treating and ameliorating disorders and conditions related to the adiponectin pathway, sphingolipid metabolism, oxidative stress, mitochondrial dysfunction, free radical damage and metabolic inefficiency, among others. In certain embodiments, the compounds have the structures (I-1), (2-I) and (3-I) (The chemical formulas should be inserted here) in which the variables are as described herein.

  本公开涉及特定的羧酰胺、磺酰胺和胺化合物及其制药组合物，以及治疗和改善与脂联素途径、鞘脂代谢、氧化应激、线粒体功能障碍、自由基损伤和代谢效率等相关的疾病和病症的方法。在某些实施例中，化合物具有结构（I-1）、（2-I）和（3-I）（化学式应在此处插入），其中变量如本文所述。
• AMPK-activating piperidinyloxypyiridine carboxamide and sulfonamide compounds and methods for using the same
  申请人：Hong Hui

  公开号：US08569340B2

  公开（公告）日：2013-10-29

  Disclosed are carboxamide, sulfonamide and amine compounds, as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure in which R1, R2, R4, E, T, n and x are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本文揭示了羧酰胺、磺酰胺和胺类化合物，以及药物组合物和使用方法。其中一种实施例是具有以下结构的化合物：其中R1、R2、R4、E、T、n和x如本文所述。在某些实施例中，本文所揭示的化合物可以激活AMPK通路，并可用于治疗与代谢相关的疾病和症状。
• AMPK-activating piperidinyloxy-substituted 2,3-dihydro-1H-indene-1-amine compounds and pharmaceutical compositions including the same
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US09174964B2

  公开（公告）日：2015-11-03

  Disclosed are carboxamide, sulfonamide and amine compounds including certain AMPK-activating piperidinylxoy-substituted 2,3-dihydro-1H-indene-1-amine compounds, as well as pharmaceutical compositions including them. One embodiment is a compound having the structure in which R1, R3,R4,R5,R14,R15,R17, G, Q, k, v, x and y are as described herein. In certain embodiments, a compound disclosed herein activates the AMPK pathway, and can be used to treat metabolism-related disorders and conditions.

  本发明涉及羧酰胺、磺酰胺和胺化合物，包括某些激活AMPK的哌啶基取代的2,3-二氢-1H-茚烯-1-胺化合物，以及包括它们的制药组合物。其中一种实施方式是具有以下结构的化合物，其中R1、R3、R4、R5、R14、R15、R17、G、Q、k、v、x和y如本文所述。在某些实施方式中，本文所披露的化合物可以激活AMPK途径，并可用于治疗与代谢相关的疾病和病况。