(2S,3'R,5'S)-1-methyl-2-(2,2-diphenyl-1,3-oxathiolan-5-yl)pyrrolidine 3-oxide | 1040367-79-0

• 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: (2S,3'R,5'S)-1-methyl-2-(2,2-diphenyl-1,3-oxathiolan-5-yl)pyrrolidine 3-oxide
• CAS: 1040367-79-0
• 化学式: C₂₀H₂₃NO₂S
• 分子量: 341.474
• InChiKey: WKEGMVFSZKEMJV-XLNZFTOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  29.54
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (2S,3'R,5'S)-1-methyl-2-(2,2-diphenyl-1,3-oxathiolan-5-yl)pyrrolidine 3-oxide 、 碘甲烷 以 乙醚 为溶剂， 生成
  参考文献：
  名称：

  Muscarinic antagonists with multiple stereocenters: Synthesis, affinity profile and functional activity of isomeric 1-methyl-2-(2,2-alkylaryl-1,3-oxathiolan-5-yl)pyrrolidine sulfoxide derivatives

  摘要：

  Completing a long-lasting research on 1,3-oxathiolane muscarinic ligands, we have synthesized a set of isomeric 1-methyl-2-( 2,2-alkylaryl-1,3-oxathiolan-5-yl) pyrrolidine 3-sulfoxide derivatives, containing three or four stereogenic centers. In general the compounds are very potent antagonists even if, unlike the corresponding agonists, they show modest subtype selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.013
• 作为产物：
  描述：

  (2S)-2-[(5S)-2,2-diphenyl-1,3-oxathiolan-5-yl]-1-methylpyrrolidine 在 双氧水 、 溶剂黄146 作用下， 反应 2.0h， 生成 (2S,3'R,5'S)-1-methyl-2-(2,2-diphenyl-1,3-oxathiolan-5-yl)pyrrolidine 3-oxide 、 (2S,3'S,5'S)-1-methyl-2-(2,2-diphenyl-1,3-oxathiolan-5-yl)pyrrolidine 3-oxide
  参考文献：
  名称：

  Muscarinic antagonists with multiple stereocenters: Synthesis, affinity profile and functional activity of isomeric 1-methyl-2-(2,2-alkylaryl-1,3-oxathiolan-5-yl)pyrrolidine sulfoxide derivatives

  摘要：

  Completing a long-lasting research on 1,3-oxathiolane muscarinic ligands, we have synthesized a set of isomeric 1-methyl-2-( 2,2-alkylaryl-1,3-oxathiolan-5-yl) pyrrolidine 3-sulfoxide derivatives, containing three or four stereogenic centers. In general the compounds are very potent antagonists even if, unlike the corresponding agonists, they show modest subtype selectivity. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.04.013