1(2H)-Quinolinecarboxylic acid,4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][2-(2-methylpropyl)-2H-tetrazol-5-yl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester,(2R,4S)- | 874502-14-4

• 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: 1(2H)-Quinolinecarboxylic acid,4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][2-(2-methylpropyl)-2H-tetrazol-5-yl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester,(2R,4S)-
• 英文别名: propan-2-yl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-[2-(2-methylpropyl)tetrazol-5-yl]amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
• CAS: 874502-14-4
• 化学式: C₃₀H₃₃F₉N₆O₂
• 分子量: 680.617
• InChiKey: VBQYREGCPKREQS-RDGATRHJSA-N

物化性质

• 沸点：
  595.4±60.0 °C(Predicted)
• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.2
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  3,5-双三氟甲基苯甲醛 在 sodium azide 、 sodium tris(acetoxy)borohydride 、 溶剂黄146 、 三乙胺 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 1,1-二氯乙烷 、 甲苯 为溶剂， 生成 1(2H)-Quinolinecarboxylic acid,4-[[[3,5-bis(trifluoromethyl)phenyl]methyl][2-(2-methylpropyl)-2H-tetrazol-5-yl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester,(2R,4S)-
  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

• 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。
• COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA
  申请人：ELI LILLY AND COMPANY

  公开号：EP1761521A1

  公开（公告）日：2007-03-14
• [EN] COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA<br/>[FR] COMPOSÉS ET PROCÉDÉS DESTINÉS À TRAITER LA DYSLIPIDÉMIE
  申请人：LILLY CO ELI

  公开号：WO2006012093A1

  公开（公告）日：2006-02-02

  Compounds of Formula I wherein n, q, Y, R1, R2a, R2b, R3a, R3b, R4, R5, and R6 are as defined herein and their pharmaceutical compositions and methods of use are disclosed.
• Design and synthesis of new tetrahydroquinolines derivatives as CETP inhibitors
  作者：Ana Escribano、Ana I. Mateo、Eva M. Martin de la Nava、Daniel R. Mayhugh、Sandra L. Cockerham、Thomas P. Beyer、Robert J. Schmidt、Guoqing Cao、Youyan Zhang、Timothy M. Jones、Anthony G. Borel、Stephanie A. Sweetana、Ellen A. Cannady、Nathan B. Mantlo

  DOI：10.1016/j.bmcl.2012.04.042

  日期：2012.6

  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.