6-[[1-[(4-Cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid | 1236111-28-6

• 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: 6-[[1-[(4-Cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid
• CAS: 1236111-28-6
• 化学式: C₂₀H₂₀N₄O₃
• 分子量: 364.404
• InChiKey: JNXONFHPQASRJA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  6-[[1-[(4-Cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid 在 盐酸 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(4-fluorobenzoyl)piperazine-1-carbonyl)picolinamide
  参考文献：
  名称：

  Structure activity relationships leading to the identification of the indirect activator of AMPK, R419

  摘要：

  DOI：

  10.1016/j.bmc.2022.116951
• 作为产物：
  描述：

  Methyl 6-[[1-[(4-cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylate 在 lithium hydroxide monohydrate 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 6-[[1-[(4-Cyanophenyl)methyl]piperidin-4-yl]carbamoyl]pyridine-3-carboxylic acid
  参考文献：
  名称：

  Structure activity relationships leading to the identification of the indirect activator of AMPK, R419

  摘要：

  DOI：

  10.1016/j.bmc.2022.116951

文献信息

• CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME
  申请人：Darwish Ihab S.

  公开号：US20100190802A1

  公开（公告）日：2010-07-29

  Disclosed are carboxamide 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 3 , R 4 , T, p, q, w 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.

  本发明涉及羧酰胺化合物、制药组合物和使用方法。其中一种实施例是具有以下结构的化合物，其中R1、R2、R3、R4、T、p、q、w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。
• Carboxamide Compounds And Methods For Using The Same
  申请人：Darwish Ihab S.

  公开号：US20130131078A1

  公开（公告）日：2013-05-23

  Disclosed are carboxamide 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 3 , R 4 , T, p, q, w 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.
• US8362235B2
  申请人：——

  公开号：US8362235B2

  公开（公告）日：2013-01-29
• US8846600B2
  申请人：——

  公开号：US8846600B2

  公开（公告）日：2014-09-30
• [EN] CARBOXAMIDE COMPOUNDS AND METHODS FOR USING THE SAME<br/>[FR] COMPOSÉS CARBOXAMIDES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2010088392A1

  公开（公告）日：2010-08-05

  Disclosed are carboxamide compounds as well as pharmaceutical compositions and methods of use. One embodiment is a compound having the structure (I) in which R1, R2, R3, R4, T, p, q, w 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.