(1R,2S,4S)-4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-2-(2-trimethylsilanyl-ethoxymethyl)-cyclohexylamine | 894853-75-9

• 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: (1R,2S,4S)-4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-2-(2-trimethylsilanyl-ethoxymethyl)-cyclohexylamine
• 英文别名: (1R,2S,4S)-4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-2-(2-trimethylsilylethoxymethyl)cyclohexan-1-amine
• CAS: 894853-75-9
• 化学式: C₂₄H₃₂ClF₂NO₃SSi
• 分子量: 516.124
• InChiKey: CFFLHZMODLNGCF-VEYWIMSWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.77
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (1R,2S,4S)-4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-2-(2-trimethylsilanyl-ethoxymethyl)-cyclohexylamine 在 吡啶 、 4-二甲氨基吡啶 、 正丁基锂 、 三氟化硼乙醚 、 sodium hydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (4aS,6S,8aR)-1-Allyl-6-(4-chloro-benzenesulfonyl)-6-(2,5-difluoro-phenyl)-octahydro-benzo[c][1,2]thiazine 2,2-dioxide
  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：

  4-[(4-氯苯基)磺酰基]-4-(2,5-二氟苯基)环己酮 在 sodium tetrahydroborate 、 正丁基锂 、 sodium azide 、 [S-(R*,R*)]-(-)-bis-α-methylbenzylamine 、 水 、 三乙胺 、 三苯基膦 、 lithium chloride 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 生成 (1R,2S,4S)-4-(4-Chloro-benzenesulfonyl)-4-(2,5-difluoro-phenyl)-2-(2-trimethylsilanyl-ethoxymethyl)-cyclohexylamine
  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

文献信息

• 3,4-Fused cyclohexyl sulfones as γ-secretase inhibitors
  作者：Duncan Shaw、Jonathan Best、Kevin Dinnell、Alan Nadin、Mark Shearman、Christine Pattison、James Peachey、Michael Reilly、Brian Williams、Jonathan Wrigley、Timothy Harrison

  DOI：10.1016/j.bmcl.2005.12.083

  日期：2006.6

  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.