[(5S)-4-cyclohexyl-5-hydroxy-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl][4-(trifluoromethyl)phenyl]methanone | 893408-37-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(5S)-4-cyclohexyl-5-hydroxy-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl][4-(trifluoromethyl)phenyl]methanone
• 英文别名: (S)-(4-cyclohexyl-5-hydroxy-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl)(4-(trifluoromethyl)phenyl)methanone；[(5S)-4-cyclohexyl-5-hydroxy-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
• CAS: 893408-37-2
• 化学式: C₂₈H₃₄F₃NO₂
• 分子量: 473.579
• InChiKey: JKTJFUOSZGUZHL-NRFANRHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  34
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.57
• 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)-4-cyclohexyl-5-hydroxy-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 18.0h， 生成 trans-4-Cyclohexyl-3-(hydroxy(4-(trifluoromethyl)phenyl)methyl)-2-isopropyl-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：

  4-cyclohexyl-2-isopropyl-7,7-dimethyl-3-[4-(trifluoromethyl)benzoyl]-7,8-dihydroquinolin-5(6H)-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)-4-cyclohexyl-5-hydroxy-2-isopropyl-7,7-dimethyl-5,6,7,8-tetrahydroquinolin-3-yl][4-(trifluoromethyl)phenyl]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：US20080194609A1

  公开（公告）日：2008-08-14

  The present application relates to novel tetrahydroquinoline derivatives, to a process for their preparation, to their use on their own or in combination for treating and/or preventing diseases and to their use for preparing medicaments, in particular as inhibitors of the cholesterol ester transfer protein (CETP) for the treatment and/or prevention of cardiovascular disorders, in particular hypolipoproteinemias, dyslipidemias, hypertriglyceridemias, hyperlipidemias, hypercholesterolemias and arteriosclerosis.

  本申请涉及新型四氢喹啉衍生物，其制备方法，其在单独使用或与其他药物联合治疗和/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）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。
• WO2006/72362
  申请人：——

  公开号：——

  公开（公告）日：——
• METHODS FOR DELAYING OCCURRENCE OF NEW-ONSET TYPE 2 DIABETES AND FOR SLOWING PROGRESSION OF AND TREATING TYPE 2 DIABETES
  申请人：DalCor Pharma UK Ltd Leatherhead, Zug Branch

  公开号：EP3833336A1

  公开（公告）日：2021-06-16
• METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS
  申请人：DALCOR PHARMA UK LTD., STOCKPORT ZUG BRANCH

  公开号：US20190070178A1

  公开（公告）日：2019-03-07

  The invention provides compositions and methods useful for treating or preventing cardiovascular disorders and lowering risk of cardiovascular events.
• [EN] METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS<br/>[FR] MÉTHODES DE TRAITEMENT OU DE PRÉVENTION DE TROUBLES CARDIOVASCULAIRES ET D'ABAISSEMENT DU RISQUE D'ÉVÉNEMENTS CARDIOVASCULAIRES
  申请人：DALCOR PHARMA UK LTD STOCKPORT ZUG BRANCH

  公开号：WO2019043018A1

  公开（公告）日：2019-03-07

  The invention provides compositions and methods useful for treating or preventing cardiovascular disorders and lowering risk of cardiovascular events.