3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide | 1304137-31-2

• 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: 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
• CAS: 1304137-31-2
• 化学式: C₂₅H₂₇F₃N₄O₂
• 分子量: 472.51
• InChiKey: WQNSNJUXDQMFNB-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  59.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (S)-1-Boc-3-氨基哌啶 在 盐酸 、 potassium carbonate 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]benzamide
  参考文献：
  名称：

  Design and synthesis of an aminopiperidine series of γ-secretase modulators

  摘要：

  The design, synthesis, and SAR of cyclic diamines as novel gamma secretase modulators (GSMs) are presented in this Letter. Starting from information in the literature and in-house cyclic diamines library, we have found a 3(S)-aminopiperidine as a potent structure for lowering A beta 42 production both in vitro and in vivo. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.10.063

文献信息

• Design and synthesis of an aminopiperidine series of γ-secretase modulators
  作者：Tomonori Kobayashi、Seiji Iwama、Akira Fusano、Yoshihiro Kato、Atsushi Ikeda、Yasuhiro Teranishi、Akemi Nishihara、Masanori Tobe

  DOI：10.1016/j.bmcl.2013.10.063

  日期：2014.1

  The design, synthesis, and SAR of cyclic diamines as novel gamma secretase modulators (GSMs) are presented in this Letter. Starting from information in the literature and in-house cyclic diamines library, we have found a 3(S)-aminopiperidine as a potent structure for lowering A beta 42 production both in vitro and in vivo. (C) 2013 Elsevier Ltd. All rights reserved.