{2-[(1S,2R,5S)-5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-methanesulfonylmethyl-cyclohexylmethoxy]-ethyl}-trimethyl-silane | 894853-82-8

• 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: {2-[(1S,2R,5S)-5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-methanesulfonylmethyl-cyclohexylmethoxy]-ethyl}-trimethyl-silane
• CAS: 894853-82-8
• 化学式: C₂₆H₃₅ClF₂O₅S₂Si
• 分子量: 593.228
• InChiKey: NPCFWMGMIZTCCH-UNVFRBQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  37.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  77.51
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {2-[(1S,2R,5S)-5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-methanesulfonylmethyl-cyclohexylmethoxy]-ethyl}-trimethyl-silane 在 吡啶 、 4-二甲氨基吡啶 、 正丁基锂 、 三氟化硼乙醚 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [(4aR,6S,8aR)-6-(4-Chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-2,2-dioxo-decahydro-2λ6-isothiochromen-3-yl]-phosphonic acid diethyl ester
  参考文献：
  名称：

  3,4-Fused cyclohexyl sulfones as γ-secretase inhibitors

  摘要：

  The 3,4-fused sulfamides, sulfonamides and sulfone have been identified as highly potent gamma-secretase inhibitors. Evaluation of the SAR of substitution within these series has allowed the identification of a range of compounds which significantly reduce brain A beta in transgenic mouse models and thus have potential as possible treatments for Alzheimer's disease. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.083
• 作为产物：
  描述：

  2-(三甲基硅烷基)乙氧甲基氯 在 正丁基锂 、 [S-(R*,R*)]-(-)-bis-α-methylbenzylamine 、 L-Selectride 、 lithium chloride 作用下， 以 四氢呋喃 为溶剂， 生成 {2-[(1S,2R,5S)-5-(4-Chloro-benzenesulfonyl)-5-(2,5-difluoro-phenyl)-2-methanesulfonylmethyl-cyclohexylmethoxy]-ethyl}-trimethyl-silane
  参考文献：
  名称：

  3,4-Fused cyclohexyl sulfones as γ-secretase inhibitors

  摘要：

  The 3,4-fused sulfamides, sulfonamides and sulfone have been identified as highly potent gamma-secretase inhibitors. Evaluation of the SAR of substitution within these series has allowed the identification of a range of compounds which significantly reduce brain A beta in transgenic mouse models and thus have potential as possible treatments for Alzheimer's disease. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.12.083