N-[1-Benzyl-2-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentyl]-2-nitro-benzenesulfonamide | 902151-19-3

• 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-[1-Benzyl-2-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentyl]-2-nitro-benzenesulfonamide
• CAS: 902151-19-3
• 化学式: C₂₃H₃₀N₂O₇S
• 分子量: 478.566
• InChiKey: XTXYMFIFOXXLDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.17
• 重原子数：
  33.0
• 可旋转键数：
  12.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  128.0
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  N-[1-Benzyl-2-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentyl]-2-nitro-benzenesulfonamide 在 吡啶 、 camphor-10-sulfonic acid 、 potassium carbonate 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 (2-Benzylpiperidin-3-yl) acetate
  参考文献：
  名称：

  Novel γ-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates

  摘要：

  Screening of our in-house compound library comprised of intermediates of natural product synthesis projects resulted in discovering two novel gamma-secretase inhibitors, which coincidently had similar moieties, that is, cyclohexenone and two aryl groups arranged on the core six-membered ring. Structure-activity relationship studies of these compounds were also developed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.025
• 作为产物：
  描述：

  rac-2-(benzyloxycarbonylamino)-3-phenylpropanal 在 palladium on activated charcoal 正丁基锂 、 氢气 、 sodium carbonate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 N-[1-Benzyl-2-hydroxy-5-(tetrahydro-pyran-2-yloxy)-pentyl]-2-nitro-benzenesulfonamide
  参考文献：
  名称：

  Novel γ-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates

  摘要：

  Screening of our in-house compound library comprised of intermediates of natural product synthesis projects resulted in discovering two novel gamma-secretase inhibitors, which coincidently had similar moieties, that is, cyclohexenone and two aryl groups arranged on the core six-membered ring. Structure-activity relationship studies of these compounds were also developed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.025