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 | 1072907-26-6

• 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-[({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: 1072907-26-6
• 化学式: C₃₆H₄₁F₉N₄O₅S
• 分子量: 812.797
• InChiKey: MNCNFUZAHVPPTB-MEELFCDTSA-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

• 作为反应物：
  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 4-二甲氨基吡啶 、 palladium 10% on activated carbon 、 氢气 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 乙醇 、 正己烷 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 (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：

  EP2626351

  摘要：

  公开号：
• 作为产物：
  描述：

  trans-{4-[({2-[({(S)-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 benzyl ester 、 氢气 在 钯 氮 、 乙醇 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以to obtain substantially optically pure 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 (III) (white amorphous, 31.78 g, yield: 100%)的产率得到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：

  OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND METHOD FOR PREPARING THEREOF

  摘要：

  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。

  公开号：

  US20130225814A1

文献信息

• AGENT FOR INHIBITING EXPRESSION OF NPC1L1 AND/OR LIPG MRNA AND AGENT FOR PREVENTING AND/OR TREATING OBESITY
  申请人：KOWA COMPANY, LTD.

  公开号：US20140303198A1

  公开（公告）日：2014-10-09

  Provided is an agent for treating and/or preventing obesity. An agent for suppressing expression of NPC1L1 (Niemann-Pick disease, type C1, gene-like 1) and/or LIPG (Lipase, endothelial) mRNA, and an agent for preventing and/or treating obesity, each comprising, as an active ingredient, a compound having CETP inhibitory activity, or a salt thereof, or a solvate thereof.

  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。
• NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME
  申请人：OHGIYA Tadaaki

  公开号：US20090082352A1

  公开（公告）日：2009-03-26

  A compound represented by the following general formula (I), wherein R 1 , R 2 , R 3 , R 4 and R 5 represent hydrogen atom, a halo(lower alkyl) group, cyano group and the like, R 6 represents an alkyl group, a cycloalkyl group and the like, R 7 , R 8 , R 9 and R 10 represent hydrogen atom, a halogen atom, a lower alkyl group, a halo(lower alkyl) group and the like, R 11 and R 12 represent hydrogen atom, a lower alkyl group, a (lower cycloalkyl) (lower alkyl) group and the like, and R 13 represents hydrogen atom, a halogen atom, a lower alkoxy group and the like, which has potent inhibitory activity on cholesterol ester transfer protein (CETP).

  一个由以下通用公式（I）表示的化合物，其中R1、R2、R3、R4和R5代表氢原子、卤素（低烷基）基团、氰基团等，R6代表烷基基团、环烷基基团等，R7、R8、R9和R10代表氢原子、卤素原子、低烷基基团、卤素（低烷基）基团等，R11和R12代表氢原子、低烷基基团、（低环烷基）（低烷基）基团等，R13代表氢原子、卤素原子、低烷氧基团等，具有对胆固醇酯转移蛋白（CETP）具有强大抑制活性的化合物。
• METHOD FOR PREPARING TRANS-ACETIC ACID ESTER
  申请人：Kusakabe Taichi

  公开号：US20110288328A1

  公开（公告）日：2011-11-24

  A method for preparing a trans-4-[(alkylamino)methyl]cyclohexyl}acetic acid, which is useful as a raw material compound for manufacture of medicaments and the like, comprising the step of reducing amide group of a compound represented by the following general formula (6) (R 1 represents hydrogen atom or a C 1-6 alkyl group, and R 2 represents a C 1-6 alkyl group, a C 3-6 cycloalkyl group, a (C 3-6 cycloalkyl)(C 1-6 alkyl) group, a C 6-10 aryl group, or a C 7-12 aralkyl group).

  一种制备用于制药物等的原料化合物的反-4-[(烷基氨基)甲基]环己基}乙酸的方法，包括还原以下通式（6）所表示的化合物的酰胺基团的步骤（其中R1表示氢原子或C1-6烷基，R2表示C1-6烷基，C3-6环烷基，（C3-6环烷基）（C1-6烷基）基团，C6-10芳基或C7-12芳基烷基）。
• 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：US08906895B2

  公开（公告）日：2014-12-09

  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.

  本质上光学纯的(S)-trans-4-[(2-[(1-[3,5-双(三氟甲基)苯基]乙基}5-[2-(甲磺酰基)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，具有减少PCSK9蛋白量和增加LDL受体量的作用。