2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]ethanol | 852392-17-7

• 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: 2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
• 英文别名: 2-amino-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
• CAS: 852392-17-7
• 化学式: C₁₀H₉F₆NO
• mdl: MFCD23602568
• 分子量: 273.178
• InChiKey: QEOWKUPKTNBURP-UHFFFAOYSA-N

物化性质

• 沸点：
  247.1±35.0 °C(Predicted)
• 密度：
  1.428±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]ethanol 、 2-苄氧基苯甲醛 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-[3,5-Bis(trifluoromethyl)phenyl]-2-[(2-phenylmethoxyphenyl)methylamino]ethanol
  参考文献：
  名称：

  Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase

  摘要：

  High throughput screening of Staphylococcus aureus phenylalanyl tRNA synthetase (FRS) identified ethanolamine 1 as a sub-micromolar hit. Optimisation studies led to the enantiospecific lead 64, a single-figure nanomolar inhibitor. The inhibitor series shows selectivity with respect to the mammalian enzyme and the potential for broad spectrum bacterial FRS inhibition. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.003
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 2-Amino-1-[3,5-bis(trifluoromethyl)phenyl]ethanol
  参考文献：
  名称：

  Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase

  摘要：

  High throughput screening of Staphylococcus aureus phenylalanyl tRNA synthetase (FRS) identified ethanolamine 1 as a sub-micromolar hit. Optimisation studies led to the enantiospecific lead 64, a single-figure nanomolar inhibitor. The inhibitor series shows selectivity with respect to the mammalian enzyme and the potential for broad spectrum bacterial FRS inhibition. © 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.003

文献信息

• [EN] NOVEL PIPERIDINE COMPOUND<br/>[FR] NOUVEAU COMPOSE DE PIPERIDINE
  申请人：TANABE SEIYAKU CO

  公开号：WO2003099787A1

  公开（公告）日：2003-12-04

  The present invention provides a novel piperidine compound of the formula [I]: wherein Ring A represents an optionally substituted benzene ring, Ring B represents an optionally substituted benzene ring, R1 represents an optionally substituted alkyl group, an optionally substituted hydroxyl group, etc., or a group of the formula: (a) wherein R11 and R12 are the same or different, and each represents hydrogen atom, a substituted carbonyl group, a substituted sulfonyl group, an optionally substituted alkyl group, etc., R2 represents hydrogen atom, etc., Z represents oxygen atom or a group represented by -N(R3)-, R3 represents hydrogen atom or an alkyl group, etc., R4 represents hydrogen atom or an alkyl group, etc.,or a pharmaceutically acceptable salt thereof.

  本发明提供了一种新型哌啶化合物，其化学式为[I]：其中环A代表可选择取代的苯环，环B代表可选择取代的苯环，R1代表可选择取代的烷基团，可选择取代的羟基团等，或者化学式的一个基团：(a)其中R11和R12相同或不同，每个代表氢原子，取代的羰基团，取代的磺酰基团，可选择取代的烷基团等，R2代表氢原子等，Z代表氧原子或由-N(R3)-表示的基团，R3代表氢原子或烷基团等，R4代表氢原子或烷基团等，或其药学上可接受的盐。
• [EN] CETP INHIBITORS<br/>[FR] INHIBITEURS DE LA CETP
  申请人：MERCK & CO INC

  公开号：WO2006014357A1

  公开（公告）日：2006-02-09

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalky substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalky substituent connected directly to the ring or attached to the ring through a -CH2-.

  具有公式I结构的化合物，包括这些化合物的药用盐，是CETP抑制剂，可用于提高HDL-胆固醇，降低LDL-胆固醇，并用于治疗或预防动脉粥样硬化：在公式I的化合物中，B或R2是具有邻位芳基、杂环、苯并杂环或苯环烷基取代基的苯基，而5-成员环的另一个位置具有直接连接到环或通过-CH2-连接到环的芳基、杂环、环烷基、苯并杂环或苯环烷基取代基。
• CETP inhibitors
  申请人：Ali Amjad

  公开号：US20060040999A1

  公开（公告）日：2006-02-23

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有I式结构的化合物，包括该化合物的药学可接受的盐，是CETP抑制剂，可用于提高高密度脂蛋白胆固醇，降低低密度脂蛋白胆固醇，以及治疗或预防动脉粥样硬化：在I式化合物中，B或R2是具有正交芳基，杂环，苯并杂环或苯并环烷基取代基的苯基取代基，并且5元环上的另一个位置具有芳香，杂环，环烷基，苯并杂环或苯并环烷基取代基，直接连接到环或通过—CH2—连接到环。
• Cetp Inhibitors
  申请人：Ali Amjad

  公开号：US20080119476A1

  公开（公告）日：2008-05-22

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有公式I结构的化合物，包括化合物的药物可接受的盐，是CETP抑制剂，可用于提高HDL-胆固醇，降低LDL-胆固醇，以及治疗或预防动脉粥样硬化。在公式I的化合物中，B或R2是具有正交芳基，杂环，苯并杂环或苯并环烷基取代基的苯基基团，5元环上的另一个位置具有芳基，杂环，环烷基，苯并杂环或苯并环烷基取代基，直接连接到环或通过-CH2-附加到环上。
• CETP INHIBITORS
  申请人：ALI Amjad

  公开号：US20100099716A1

  公开（公告）日：2010-04-22

  Compounds having the structures of Formula I, including pharmaceutically acceptable salts of the compounds, are CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis: In the compounds of Formula I, B or R 2 is a phenyl group which has an ortho aryl, heterocyclic, benzoheterocyclic or benzocycloalkyl substituent, and one other position on the 5-membered ring has an aromatic, heterocyclic, cycloalkyl, benzoheterocyclic or benzocycloalkyl substituent connected directly to the ring or attached to the ring through a —CH 2 —.

  具有I式结构的化合物，包括该化合物的药物可接受的盐，是CETP抑制剂，可用于提高HDL胆固醇，降低LDL胆固醇，并用于治疗或预防动脉粥样硬化。在I式化合物中，B或R2是具有正交芳香族，杂环，苯并杂环或苯并环烷基取代基的苯基，而5元环上的另一个位置具有直接连接到环或通过-CH2-连接到环的芳香族，杂环，环烷基，苯并杂环或苯并环烷基取代基。