Ethanone, 1-[(2R,5S)-5-ethyl-2-methyl-1-piperazinyl]- | 1258073-93-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Ethanone, 1-[(2R,5S)-5-ethyl-2-methyl-1-piperazinyl]-
• 英文别名: 1-[(2R,5S)-5-ethyl-2-methylpiperazin-1-yl]ethanone
• CAS: 1258073-93-6
• 化学式: C₉H₁₈N₂O
• 分子量: 170.255
• InChiKey: FLCHQMLGFSSJRG-APPZFPTMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.61
• 重原子数：
  12.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  32.34
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-(cyclopropylmethyl)morpholin-3-yl]cyclopropyl] carbonochloridate 、 Ethanone, 1-[(2R,5S)-5-ethyl-2-methyl-1-piperazinyl]- 以 二氯甲烷 为溶剂， 生成 (2S,5R)-1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-(cyclopropylmethyl)morpholin-3-yl)cyclopropyl 4-acetyl-2-ethyl-5-methylpiperazine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship studies of N-arylsulfonyl morpholines as γ-secretase inhibitors

  摘要：

  Design and synthesis of cis-2,6-disubstituted N-arylsulfonyl morpholines as novel gamma-secretase inhibitors for the potential treatment of Alzheimer's disease (AD) is reported. Several different small alkyl groups are installed on the left-hand side to lower the CYP3A4 liability while maintaining excellent in vitro potency. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.028