trans-{4-[({2-[({(R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid | 1351520-14-3

• 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: trans-{4-[({2-[({(R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid
• 英文别名: (R)-(+)-trans-{4-[({2-[({1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid
• CAS: 1351520-14-3
• 化学式: C₃₆H₄₁F₉N₄O₅S
• 分子量: 812.797
• InChiKey: MNCNFUZAHVPPTB-WXFUMESZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.83
• 重原子数：
  55.0
• 可旋转键数：
  15.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  112.93
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  trans-{4-[({2-[({1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid 在 CHIRALCEL OD-H 作用下， 以 乙醇 、 正己烷 、 三氟乙酸 为溶剂， 生成 trans-{4-[({2-[({(R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid 、 (S)-(-)-trans-{4-[({2-[({1-[3,5-bis(trifluoromethyl)phenyl]ethyl}{5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid
  参考文献：
  名称：

  AGENT FOR INHIBITING EXPRESSION OF NPC1L1 AND/OR LIPG MRNA AND AGENT FOR PREVENTING AND/OR TREATING OBESITY

  摘要：

  提供了一种用于治疗和/或预防肥胖的药剂。一种用于抑制NPC1L1（尼曼-匹克病C1型基因样1）和/或LIPG（内皮脂肪酶）mRNA表达的药剂，以及一种用于预防和/或治疗肥胖的药剂，每种药剂包括作为活性成分的具有CETP抑制活性的化合物，或其盐，或其溶剂化合物。

  公开号：

  US20140303198A1

文献信息

• AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA
  申请人：Shibuya Kimiyuki

  公开号：US20130225618A1

  公开（公告）日：2013-08-29

  The present invention is intended to provide a pharmaceutical product for inhibiting expression of at least one lipid metabolism related mRNA selected from the group consisting of Angptl4 mRNA, SCD-1 mRNA, and SREBP1c mRNA, the present invention is also intended to provide a preventive and/or therapeutic agent for various diseases based on inhibition of expression of at least one lipid metabolism related mRNA selected from the group consisting of Angptl4 mRNA, SCD-1 mRNA, and SREBP1c mRNA, and the present invention relates to an agent for inhibiting expression of at least one lipid metabolism related mRNA selected from the group consisting of Angptl4 mRNA, SCD-1 mRNA, and SREBP1c mRNA, and relates also to a preventive and/or therapeutic agent for various diseases based on the inhibition of the expression of at least one lipid metabolism related mRNA selected from the group consisting of Angptl4 mRNA, SCD-1 mRNA, and SREBP1c mRNA, the agent comprising a compound represented by Formula (I), its salt, or a solvate of any of them as an active ingredient: wherein the symbols are the same as those given in the description.

  本发明旨在提供一种制药产品，用于抑制与脂质代谢相关的至少一种mRNA的表达，所述mRNA选择自包括Angptl4 mRNA、SCD-1 mRNA和SREBP1c mRNA的群组，本发明还旨在提供一种基于抑制至少一种与脂质代谢相关的mRNA的表达的预防和/或治疗剂，所述mRNA选择自包括Angptl4 mRNA、SCD-1 mRNA和SREBP1c mRNA的群组，本发明涉及一种用于抑制与脂质代谢相关的至少一种mRNA的表达的剂，所述mRNA选择自包括Angptl4 mRNA、SCD-1 mRNA和SREBP1c mRNA的群组，还涉及一种基于抑制至少一种与脂质代谢相关的mRNA的表达的预防和/或治疗剂，所述mRNA选择自包括Angptl4 mRNA、SCD-1 mRNA和SREBP1c mRNA的群组，该剂包括以下式（I）所表示的化合物、其盐或任何它们的溶剂作为活性成分：其中符号与描述中给出的相同。
• OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF
  申请人：Ohgiya Tadaaki

  公开号：US20130225814A1

  公开（公告）日：2013-08-29

  Substantially optically pure (S)-trans-4-[(2-[(1-[3,5-bis(trifluoromethyl)phenyl]ethyl}5-[2-(methylsulfonyl)ethoxy]pyrimidin-2-yl}amino)methyl]-4-(trifluoromethyl)phenyl}(ethyl)amino)methyl]cyclohexyl}acetic acid, or a salt thereof, or a solvate thereof, which has actions of reducing amount of PCSK9 protein and increasing amount of LDL receptor.

  具有减少PCSK9蛋白质数量和增加LDL受体数量作用的实质上光学纯的(S)-顺式-4-[(2-[(1-[3,5-双(三氟甲基)苯基]乙基}5-[2-(甲基磺酰基)乙氧基]嘧啶-2-基}氨基)甲基]-4-(三氟甲基)苯基}(乙基)氨基)甲基]环己基}乙酸，或其盐，或其溶剂化物。
• OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME
  申请人：Kowa Company, Ltd.

  公开号：EP2578574B1

  公开（公告）日：2016-04-27
• METHOD OF TREATING ATHEROSCLEROSIS IN HIGH TRIGLYCERIDE SUBJECTS
  申请人：NOVARTIS AG

  公开号：US20140134262A1

  公开（公告）日：2014-05-15

  The present invention provides a compound of Formula I: for use in the treatment, amelioration and/or prevention of diseases and conditions associated with CETP activity, such as atherosclerosis and dyslipidemia, in a subject with high triglyceride level; wherein R 1 , X 1 , R 7 , R 5 , C, L and p are defined herein. The present invention further provides a combination of pharmacologically active agents for use in the treatment, amelioration and/or prevention of diseases and conditions associated with CETP activity, such as atherosclerosis and dyslipidemia, in a subject with high triglyceride levels.
• US8906895B2
  申请人：——

  公开号：US8906895B2

  公开（公告）日：2014-12-09