(S)-((5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)[4-(trifluoromethyl)phenyl]methanol | 893408-39-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: (S)-((5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)[4-(trifluoromethyl)phenyl]methanol
• 英文别名: (S)-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-cyclohexyl-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanol
• CAS: 893408-39-4
• 化学式: C₃₄H₅₀F₃NO₂Si
• 分子量: 589.857
• InChiKey: SGLKXQCOPWOULR-HVNZXBJASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.39
• 重原子数：
  41
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (S)-((5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)[4-(trifluoromethyl)phenyl]methanol 在 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-3-{(S)-fluoro[4-(trifluoromethyl)phenyl]-methyl}-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinoline
  参考文献：
  名称：

  Novel tetrahydrochinoline derived CETP inhibitors

  摘要：

  In the course of our efforts to identify orally active cholesteryl ester transfer protein (CETP) inhibitors, we have continued to explore tetrahydrochinoline derivatives. Based on BAY 19-4789 structural modifications led to the discovery of novel cycloalkyl substituted compounds. Thus, example 11b is a highly potent CETP inhibitor both in vitro and in vivo in transgenic mice with favourable pharmacokinetic properties for clinical development. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.071
• 作为产物：
  描述：

  ((5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)[4-(trifluoromethyl)phenyl]methanone 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 (S)-((5S)-5-{[tert.-butyl(dimethyl)silyl]oxy}-4-cyclohexyl-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)[4-(trifluoromethyl)phenyl]methanol
  参考文献：
  名称：

  Novel tetrahydrochinoline derived CETP inhibitors

  摘要：

  In the course of our efforts to identify orally active cholesteryl ester transfer protein (CETP) inhibitors, we have continued to explore tetrahydrochinoline derivatives. Based on BAY 19-4789 structural modifications led to the discovery of novel cycloalkyl substituted compounds. Thus, example 11b is a highly potent CETP inhibitor both in vitro and in vivo in transgenic mice with favourable pharmacokinetic properties for clinical development. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.071

文献信息

• WO2006/72362
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel tetrahydrochinoline derived CETP inhibitors
  作者：Carsten Schmeck、Heike Gielen-Haertwig、Alexandros Vakalopoulos、Hilmar Bischoff、Volkhart Li、Gabriele Wirtz、Olaf Weber

  DOI：10.1016/j.bmcl.2010.01.071

  日期：2010.3

  In the course of our efforts to identify orally active cholesteryl ester transfer protein (CETP) inhibitors, we have continued to explore tetrahydrochinoline derivatives. Based on BAY 19-4789 structural modifications led to the discovery of novel cycloalkyl substituted compounds. Thus, example 11b is a highly potent CETP inhibitor both in vitro and in vivo in transgenic mice with favourable pharmacokinetic properties for clinical development. (C) 2010 Elsevier Ltd. All rights reserved.