N-[6-(N'-cyclopentylmethyl-N'-ethylamino)indan-5-ylmethyl]-N-[3,5-bis(trifluoromethyl)benzyl]-(5-methyl-1H-pyrazol-3-yl)amine

• 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: N-[6-(N'-cyclopentylmethyl-N'-ethylamino)indan-5-ylmethyl]-N-[3,5-bis(trifluoromethyl)benzyl]-(5-methyl-1H-pyrazol-3-yl)amine
• 英文别名: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-5-methyl-1H-pyrazol-3-amine
• 化学式: C₃₁H₃₆F₆N₄
• 分子量: 578.644
• InChiKey: MWRXQWRWKRRHBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  在 甲烷磺酸 、 肼 作用下， 以 乙二醇二甲醚 为溶剂， 反应 120.0h， 以58%的产率得到N-[6-(N'-cyclopentylmethyl-N'-ethylamino)indan-5-ylmethyl]-N-[3,5-bis(trifluoromethyl)benzyl]-(5-methyl-1H-pyrazol-3-yl)amine
  参考文献：
  名称：

  Dibenzylamine compound and medicinal use thereof

  摘要：

  一种二苄胺化合物，其化学式如下： 其中，R1和R2分别是C1-6烷基基团，可选择性地被卤原子等取代；R3、R4和R5分别是氢原子、卤原子等，或者R3和R4可以与与之相结合的碳原子一起形成一个具有取代基的同环或异环环；A是-N(R7)(R8)等；环B是芳基或杂环残基；R6是氢原子、卤原子、硝基、C1-6烷基基团等；n是1到3的整数，其前体和药学上可接受的盐表现出选择性和强效的CETP抑制活性，因此，它们可以作为治疗或预防高脂血症或动脉硬化等疾病的药物。

  公开号：

  US20050059810A1

文献信息

• Dibenzylamine Compounds and Pharmaceutical Use Thereof
  申请人：Maeda Kimiya

  公开号：US20080146620A1

  公开（公告）日：2008-06-19

  A dibenzylamine compound represented by the formula (1) wherein R 1 and R 2 are each a C 1-6 allyl group optionally substituted by halogen atoms and the like; R 3 , R 4 and R 5 are each a hydrogen atom, a halogen atom and the like, or R 3 and R 4 may form, together with carbon atoms bonded thereto, a homocyclic or heterocyclic ring optionally having substituent(s); A is —N(R 7 )(R 8 ) and the like; ring B is an aryl group or a heterocyclic residue; R 6 is a hydrogen atom, a halogen atom, a nitro group, a C 1-6 allyl group and the like; n is an integer of 1 to 3, a prodrug thereof and a pharmaceutically acceptable salt thereof show selective and potent CETP inhibitory activity, and therefore, they can be provided as therapeutic or prophylactic agents for hyperlipidemia or arteriosclerosis and the like.

  一种二苄基胺化合物，由式（1）表示，其中R1和R2分别是C1-6烯丙基基团，可以被卤素等取代; R3、R4和R5分别是氢原子、卤素原子等，或者R3和R4可以与其结合的碳原子一起形成一个同环或异环环，该环可以有取代基; A是—N（R7）（R8）等; 环B是芳基基团或杂环残基; R6是氢原子、卤素原子、硝基、C1-6烯丙基基团等; n是1到3的整数，其前体和药学上可接受的盐表现出选择性和强效的CETP抑制活性，因此，它们可以作为治疗或预防高脂血症或动脉硬化等的药物。
• DIBENZYLAMINE COMPOUND AND MEDICINAL USE THEREOF
  申请人：Japan Tobacco Inc.

  公开号：EP1533292A1

  公开（公告）日：2005-05-25

  A dibenzylamine compound represented by the formula (1) wherein R1 and R2 are each a C1-6 alkyl group optionally substituted by halogen atoms and the like; R3, R4 and R5 are each a hydrogen atom, a halogen atom and the like, or R3 and R4 may form, together with carbon atoms bonded thereto, a homocyclic or heterocyclic ring optionally having substituent (s) ; A is -N(R7)(R8) and the like; ring B is an aryl group or a heterocyclic residue; R6 is a hydrogen atom, a halogen atom, a nitro group, a C1-6 alkyl group and the like; n is an integer of 1 to 3, a prodrug thereof and a pharmaceutically acceptable salt thereof show selective and potent CETP inhibitory activity, and therefore, they can be provided as therapeutic or prophylactic agents for hyperlipidemia or arteriosclerosis and the like.

  由式（1）表示的二苄胺化合物 其中 R1 和 R2 各为可选被卤素原子等取代的 C1-6 烷基；R3、R4 和 R5 各为氢原子、卤素原子等，或 R3 和 R4 可与其键合的碳原子一起形成可选具有取代基（s）的同环或杂环；A 为-N(R7)(R8)等；环 B 为芳基或杂环残基；R6 是氢原子、卤素原子、硝基、C1-6 烷基等；n 是 1 至 3 的整数，其原药及其药学上可接受的盐显示出选择性和强效的 CETP 抑制活性，因此可作为高脂血症或动脉硬化等的治疗剂或预防剂。
• Dibenzylamine compounds and pharmaceutical use thereof
  申请人：Japan Tobacco, Inc.

  公开号：EP1829858A2

  公开（公告）日：2007-09-05

  A dibenzylamine compound represented by the formula (1) wherein R1 and R2 are each a C1-6 alkyl group optionally substituted by halogen atoms and the like; R3, R4 and R5 are each a hydrogen atom, a halogen atom and the like, or R3 and R4 may form, together with carbon atoms bonded thereto, a homocyclic or heterocyclic ring optionally having substituent(s); A is -N (R7) (R8) and the like; ring B is an aryl group or a heterocyclic residue; R6 is a hydrogen atom, a halogen atom, a nitro group, a C1-6 alkyl group and the like; n is an integer of 1 to 3, a prodrug thereof and a pharmaceutically acceptable salt thereof show selective and potent CETP inhibitory activity, and therefore, they can be provided as therapeutic or prophylactic agents for hyperlipidemia or arteriosclerosis and the like.

  由式（1）代表的二苄胺化合物 其中 R1 和 R2 各为可选被卤素原子等取代的 C1-6 烷基；R3、R4 和 R5 各为氢原子、卤素原子等，或 R3 和 R4 可与其键合的碳原子一起形成可选具有取代基的同环或杂环；A 为 -N (R7) (R8) 等；环 B 为芳基或杂环残基；R6 是氢原子、卤素原子、硝基、C1-6 烷基等；n 是 1 至 3 的整数，其原药及其药学上可接受的盐显示出选择性和强效的 CETP 抑制活性，因此可作为高脂血症或动脉硬化等的治疗剂或预防剂。
• 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。