1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl carbonochloridate | 1258073-77-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl carbonochloridate
• CAS: 1258073-77-6
• 化学式: C₁₇H₂₁Cl₂NO₅S
• 分子量: 422.329
• InChiKey: XHFMALWVSHBKRI-LSDHHAIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  26.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  72.91
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl carbonochloridate 、 3,7-二氮杂双环[3.3.0]辛烷 以 二氯甲烷 为溶剂， 生成 1-((3R,5R)-4-(4-chlorophenylsulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-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
• 作为产物：
  描述：

  光气 、 1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropan-1-ol 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 以73%的产率得到1-((3R,5R)-4-((4-chlorophenyl)sulfonyl)-5-isopropylmorpholin-3-yl)cyclopropyl carbonochloridate
  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