N-((R)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-4-chloro-N-(5-chloro-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenyl)benzenesulfonamide | 1011718-74-3

• 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: N-((R)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-4-chloro-N-(5-chloro-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenyl)benzenesulfonamide
• CAS: 1011718-74-3
• 化学式: C₂₇H₃₉Cl₂NO₅SSi
• 分子量: 588.668
• InChiKey: KTMFZAUDRIVWIK-TUHVGIAZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.64
• 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：
  0.56
• 拓扑面积：
  65.07
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  N-((R)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-4-chloro-N-(5-chloro-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenyl)benzenesulfonamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以94%的产率得到C₂₁H₂₅Cl₂NO₅S
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102
• 作为产物：
  描述：

  4-chloro-N-[5-chloro-2-(oxan-2-yloxymethyl)phenyl]benzenesulfonamide 、 (S)-1-((tert-butyldimethylsilyl)oxy)propan-2-ol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以68%的产率得到N-((R)-1-((tert-butyldimethylsilyl)oxy)propan-2-yl)-4-chloro-N-(5-chloro-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenyl)benzenesulfonamide
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102