2-benzyl-N-(1-(4-cyanobenzyl)piperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide | 1160786-14-0

• 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: 2-benzyl-N-(1-(4-cyanobenzyl)piperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
• 英文别名: 2-benzyl-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxamide
• CAS: 1160786-14-0
• 化学式: C₃₂H₃₃N₅O
• 分子量: 503.647
• InChiKey: YNQXJGXMYJSKIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-benzyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxylic acid 、 1-(4-cyanobenzyl)-4-aminopiperidine dihydrochloride 在 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以97%的产率得到2-benzyl-N-(1-(4-cyanobenzyl)piperidin-4-yl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
  参考文献：
  名称：

  Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same

  摘要：

  揭示了羧酰胺、磺胺和胺类化合物，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R 1 ，R 2 ，R 4 ，D，E，J，T，p，q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：

  US20090163511A1

文献信息

• Carboxamide, sulfonamide and amine compounds and methods for using the same
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：US08129390B2

  公开（公告）日：2012-03-06

  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, D, E, J, T, p, q 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，以及其药物组成物和使用方法。其中一种实施例是具有以下结构的化合物：其中R1、R2、R4、D、E、J、T、p、q和x如此处所述。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。
• 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。
• Carboxamide, sulfonamide and amine compounds for metabolic disorders
  申请人：Rigel Pharmaceuticals, Inc.

  公开号：EP2231666B1

  公开（公告）日：2015-07-29
• Methods for Using Carboxamide, Sulfonamide and Amine Compounds
  申请人：Payan Donald

  公开号：US20110245222A1

  公开（公告）日：2011-10-06

  Disclosed are uses of carboxamide, sulfonamide and amine compounds for the treatment and amelioration of disorders and conditions related to oxidative stress, mitochondrial dysfunction, free radical damage and metabolic inefficiency, among others. Also described are methods for increasing exercise endurance, exercise efficiency and aerobic workload using the compounds described herein.
• US8129390B2
  申请人：——

  公开号：US8129390B2

  公开（公告）日：2012-03-06