[(5S)-2-cyclopentyl-4-cyclohexyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl](4-trifluoromethylphenyl)-methanone | 893409-50-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(5S)-2-cyclopentyl-4-cyclohexyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl](4-trifluoromethylphenyl)-methanone
• 英文别名: (S)-(4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(4-(trifluoromethyl)phenyl)methanone；[(5S)-4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
• CAS: 893409-50-2
• 化学式: C₃₀H₃₆F₃NO₂
• 分子量: 499.617
• InChiKey: JAOQRBJXQQDLAM-QHCPKHFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [(5S)-2-cyclopentyl-4-cyclohexyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl](4-trifluoromethylphenyl)-methanone 在 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 (S)-4-cyclohexyl-2-cyclopentyl-3-((S)-hydroxy(4-(trifluoromethyl)phenyl)methyl)-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-5-ol
  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：

  2-cyclopentyl-4-cyclohexyl-7,7-dimethyl-3-(4-trifluoromethylbenzoyl)-7,8-dihydro-6H-quinolin-5-one 在 硼烷-N,N-二乙基苯胺 、 (1R,2S)-1-氨基-2-茚醇 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 生成 [(5S)-2-cyclopentyl-4-cyclohexyl-5-hydroxy-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl](4-trifluoromethylphenyl)-methanone
  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

• Chemical Compound and Its Use
  申请人：Bischoff Hilmar

  公开号：US20080255068A1

  公开（公告）日：2008-10-16

  The present application relates to a novel tetrahydroquinoline derivative, to a process for its preparation, to its use on its own or in combination for treating and/or preventing diseases and to its use for preparing medicaments, in particular as an inhibitor of the cholesterol ester transfer protein (CETP) for the treatment and/or prevention of cardiovascular disorders, in particular hypolipoproteinaemias, dyslipidaemias, hypertriglyceridaemias, hyperlipidaemias, hypercholesterolaemias and arteriosclerosis.

  本申请涉及一种新型四氢喹啉衍生物，其制备方法，其在单独使用或联合使用时用于治疗和/或预防疾病的用途，以及其用于制备药物的用途，特别是作为胆固醇酯转移蛋白（CETP）抑制剂，用于治疗和/或预防心血管疾病，特别是低脂蛋白血症，脂质代谢异常，高甘油三酯血症，高脂血症，高胆固醇血症和动脉硬化。
• CHEMICAL COMPOUND AND ITS USE
  申请人：BISCHOFF Hilmar

  公开号：US20120142728A1

  公开（公告）日：2012-06-07

  The present application relates to a novel tetrahydroquinoline derivative, to a process for its preparation, to its use on its own or in combination for treating and/or preventing diseases and to its use for preparing medicaments, in particular as an inhibitor of the cholesterol ester transfer protein (CETP) for the treatment and/or prevention of cardiovascular disorders, in particular hypolipoproteinaemias, dyslipidaemias, hypertriglyceridaemias, hyperlipidaemias, hypercholesterolaemias and arteriosclerosis.

  本申请涉及一种新型四氢喹啉衍生物，其制备方法，其单独或联合用于治疗和/或预防疾病以及其用于制备药物，特别是作为胆固醇酯转移蛋白（CETP）的抑制剂，用于治疗和/或预防心血管疾病，特别是低脂蛋白血症、脂质代谢异常、高三酰甘油血症、高脂血症、高胆固醇血症和动脉硬化。
• WO2006/63828
  申请人：——

  公开号：——

  公开（公告）日：——
• 4-CYCLOALKYL-SUBSTITUIERTE TETRAHYDROCHINOLINDERIVATE UND DEREN VERWENDUNG ALS MEDIKAMENTE
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP1828137B1

  公开（公告）日：2012-04-25
• US8124775B2
  申请人：——

  公开号：US8124775B2

  公开（公告）日：2012-02-28