4-[(3,5-bis-trifluoromethylphenyl)-cyanomethyl]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid ethyl ester | 871834-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(3,5-bis-trifluoromethylphenyl)-cyanomethyl]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid ethyl ester
• 英文别名: 4-[(3,5-Bis-trifluoromethylphenyl)-cyanomethyl]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid ethyl ester；ethyl 4-[[3,5-bis(trifluoromethyl)phenyl]-cyanomethyl]-2-ethyl-6-(trifluoromethyl)-2,3-dihydroquinoxaline-1-carboxylate
• CAS: 871834-59-2
• 化学式: C₂₄H₂₀F₉N₃O₂
• 分子量: 553.427
• InChiKey: XOEBKIDALUGKPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  56.6
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  4-[(3,5-bis-trifluoromethylphenyl)-cyanomethyl]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid ethyl ester 在 sodium azide 、 氯化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 4-((3,5-bis(trifluoromethyl)phenyl)(2-(2-tert-butoxy-2-oxoethyl)-2H-tetrazol-5-yl)methyl)-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoxaline-1(2H)-carboxylate
  参考文献：
  名称：

  Tetrazole and ester substituted tetrahydoquinoxalines as potent cholesteryl ester transfer protein inhibitors

  摘要：

  Cholesteryl ester transfer protein is a plasma glycoprotein that transfers cholesterol ester between lipoprotein particles. Inhibition of this protein, in vitro and in vivo, produces an increase in plasma high density lipoprotein cholesterol (HE)L-Q. This communication will describe the SAR and svnthesis of a series of substituted tetrahydroquinoxaline CETP inhibitors from early P lead to advanced enantiomerically pure anaiogs. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.112
• 作为产物：
  描述：

  methanesulfonic acid 2-(2-nitro-4-trifluoromethylphenylamino)-butyl ester 在 palladium on activated charcoal 吡啶 、 邻苯二甲酸二甲酯 、 氢气 、 四丁基碘化铵 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 二氯甲烷 为溶剂， 生成 4-[(3,5-bis-trifluoromethylphenyl)-cyanomethyl]-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Tetrazole and ester substituted tetrahydoquinoxalines as potent cholesteryl ester transfer protein inhibitors

  摘要：

  Cholesteryl ester transfer protein is a plasma glycoprotein that transfers cholesterol ester between lipoprotein particles. Inhibition of this protein, in vitro and in vivo, produces an increase in plasma high density lipoprotein cholesterol (HE)L-Q. This communication will describe the SAR and svnthesis of a series of substituted tetrahydroquinoxaline CETP inhibitors from early P lead to advanced enantiomerically pure anaiogs. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.112

文献信息

• Inhibitors of cholesteryl ester transfer protein
  申请人：Jones Zachary

  公开号：US20050282812A1

  公开（公告）日：2005-12-22

  This invention relates to inhibitors of CETP and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders mediated by CETP.

  这项发明涉及CETP抑制剂及其制备方法。该发明还提供了包括该发明的抑制剂的药物组合物，以及利用这些抑制剂和药物组合物在治疗和预防由CETP介导的各种疾病的方法。
• [EN] INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTIEN<br/>[FR] INHIBITEURS DE PROTEINES DE TRANSFERT D'ESTER DE CHOLESTERYLE
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2006009819A1

  公开（公告）日：2006-01-26

  This invention relates to inhibitors of CETP and methods for producing these inhibitors. The invention also provides pharmaceutical compositions comprising the inhibitors of the invention and methods of utilizing the inhibitors and pharmaceutical compositions in the treatment and prevention of various disorders mediated by CETP.

  本发明涉及CETP抑制剂及其制备方法。本发明还提供了包含本发明抑制剂的制药组合物，以及在治疗和预防由CETP介导的各种疾病中利用抑制剂和制药组合物的方法。
• Tetrazole and ester substituted tetrahydoquinoxalines as potent cholesteryl ester transfer protein inhibitors
  作者：C. Todd Eary、Zachary S. Jones、Robert D. Groneberg、Laurence E. Burgess、David A. Mareska、Mark D. Drew、James F. Blake、Ellen R. Laird、Devan Balachari、Michael O’Sullivan、Andrew Allen、Vivienne Marsh

  DOI：10.1016/j.bmcl.2007.01.112

  日期：2007.5

  Cholesteryl ester transfer protein is a plasma glycoprotein that transfers cholesterol ester between lipoprotein particles. Inhibition of this protein, in vitro and in vivo, produces an increase in plasma high density lipoprotein cholesterol (HE)L-Q. This communication will describe the SAR and svnthesis of a series of substituted tetrahydroquinoxaline CETP inhibitors from early P lead to advanced enantiomerically pure anaiogs. (c) 2007 Elsevier Ltd. All rights reserved.