[2R,4S]4-(3,5-bis-trifluoromethyl-benzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester | 261947-57-3

• 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: [2R,4S]4-(3,5-bis-trifluoromethyl-benzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester
• 英文别名: [2R,4S]4-(3,5-bistrifluoromethylbenzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester；(2R,4S)-4-(3,5-Bis-trifluoromethyl-benzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic Acid Isopropyl Ester；propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
• CAS: 261947-57-3
• 化学式: C₂₅H₂₅F₉N₂O₂
• 分子量: 556.471
• InChiKey: PJJDKSLBOOCAKM-QUCCMNQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  [2R,4S]4-(3,5-bis-trifluoromethyl-benzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester 在 sodium azide 、 三乙胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 生成 propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-butyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
  参考文献：
  名称：

  Design and synthesis of new tetrahydroquinolines derivatives as CETP inhibitors

  摘要：

  This letter describes the discovery and SAR optimization of tetrazoyl tetrahydroquinoline derivatives as potent CETP inhibitors. Compound 6m exhibited robust HDL-c increase in hCETP/hApoA1 double transgenic model and favorable pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.042
• 作为产物：
  描述：

  (2R,4S)-(2-乙基-6-三氟甲基-1,2,3,4-四氢喹啉-4-基)氨基甲酸苄酯 在 吡啶 、 sodium tris(acetoxy)borohydride 、 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 1,1-二氯乙烷 、 乙酸乙酯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 生成 [2R,4S]4-(3,5-bis-trifluoromethyl-benzylamino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester
  参考文献：
  名称：

  Design and synthesis of new tetrahydroquinolines derivatives as CETP inhibitors

  摘要：

  This letter describes the discovery and SAR optimization of tetrazoyl tetrahydroquinoline derivatives as potent CETP inhibitors. Compound 6m exhibited robust HDL-c increase in hCETP/hApoA1 double transgenic model and favorable pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.042

文献信息

• Methods for preparing CETP inhibitors
  申请人：Pfizer Inc.

  公开号：US20030216576A1

  公开（公告）日：2003-11-20

  This invention relates to methods for preparing certain cholesteryl ester transfer protein (CETP) inhibitors and intermediates useful in the preparation of said CETP inhibitors.

  这项发明涉及制备某些胆固醇酯转移蛋白（CETP）抑制剂及在制备该CETP抑制剂中有用的中间体的方法。
• Compounds and Methods for Treating Dyslipidemia
  申请人：Escribano Ana Maria

  公开号：US20080269284A1

  公开（公告）日：2008-10-30

  Compounds of Formula I wherein n, q, Y, R 1 , R 2a , R 2b , R 3a , R 3b , R 4 , R 5 , and R 6 are as defined herein and their pharmaceutical compositions and methods of use are disclosed.

  本发明揭示了公式I的化合物，其中n，q，Y，R1，R2a，R2b，R3a，R3b，R4，R5和R6如本文所定义，并且揭示了它们的制药组合物和使用方法。
• Method of inhibiting remnant lipoprotein production
  申请人：Japan Tobacco, Inc.

  公开号：EP2316447A1

  公开（公告）日：2011-05-04

  The present invention aims at provision of a method for inhibiting remnant lipoprotein production and a remnant lipoprotein production inhibitor, which includes administering a compound having a CETP inhibitory activity to an administration subject. The remnant lipoprotein production inhibitor of the present invention contains a compound having a CETP inhibitory activity as an active ingredient.

  本发明旨在提供一种抑制残余脂蛋白生成的方法和一种残余脂蛋白生成抑制剂，其中包括向给药对象施用一种具有CETP抑制活性的化合物。本发明的残余脂蛋白生成抑制剂含有一种具有 CETP 抑制活性的化合物作为活性成分。
• Method of Inhibiting remnant lipoprotein production
  申请人：Japan Tobacco, Inc.

  公开号：EP2319509A1

  公开（公告）日：2011-05-11

  The present invention aims at provision of a method for inhibiting remnant lipoprotein production and a remnant lipoprotein production inhibitor, which includes administering a compound having a CETP inhibitory activity to an administration subject. The remnant lipoprotein production inhibitor of the present invention contains a compound having a CETP inhibitory activity as an active ingredient.

  本发明旨在提供一种抑制残余脂蛋白生成的方法和一种残余脂蛋白生成抑制剂，其中包括向给药对象施用一种具有CETP抑制活性的化合物。本发明的残余脂蛋白生成抑制剂含有一种具有 CETP 抑制活性的化合物作为活性成分。
• 4-AMINO SUBSTITUTED-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS
  申请人：Pfizer Products Inc.

  公开号：EP1114032A1

  公开（公告）日：2001-07-11