3-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide | 1304136-21-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
• CAS: 1304136-21-7
• 化学式: C₂₆H₃₁N₅O₃
• 分子量: 461.564
• InChiKey: OAAPSYOGQJQMJC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  88.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-叔丁氧羰基-3-氨基哌啶 在 盐酸 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
  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.