1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate | 1258074-04-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
• 英文别名: [1-[(3R,5R)-4-(4-chlorophenyl)sulfonyl-5-propan-2-ylmorpholin-3-yl]cyclopropyl] 3,8-diazabicyclo[3.2.1]octane-3-carboxylate
• CAS: 1258074-04-2
• 化学式: C₂₃H₃₂ClN₃O₅S
• 分子量: 498.043
• InChiKey: SEUYCXXZPFOTNT-RRIIRSAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  96.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl carbonochloridate 、 3,8-二氮杂双环[3.2.1]辛烷 以 二氯甲烷 为溶剂， 生成 1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl 3,8-diazabicyclo[3.2.1]octane-3-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

文献信息

• Design, synthesis, and structure–activity relationship studies of N-arylsulfonyl morpholines as γ-secretase inhibitors
  作者：Hongmei Li、Ruo Xu、David Cole、John W. Clader、William J. Greenlee、Amin A. Nomeir、Lixin Song、Lili Zhang

  DOI：10.1016/j.bmcl.2010.09.028

  日期：2010.11

  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.