4-((2-((3,5-双(三氟甲基)苄基)((2R,4S)-1-(乙氧羰基)-2-乙基-6-(三氟甲基)-1,2,3,4-四氢喹啉-4-基)氨基)-5-嘧啶基)氧代)丁酸 | 866399-87-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 4-((2-((3,5-双(三氟甲基)苄基)((2R,4S)-1-(乙氧羰基)-2-乙基-6-(三氟甲基)-1,2,3,4-四氢喹啉-4-基)氨基)-5-嘧啶基)氧代)丁酸
• 英文名称: 4-((2-((3,5-bis(trifluoromethyl)benzyl)((2R,4S)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl)amino)pyrimidin-5-yl)oxy)butanoic acid
• 英文别名: 4-[(2-{[3,5-bis(trifluoromethyl)benzyl][(2R,45)-1-(ethoxycarbonyl)-2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}pyrimidin-5-yl)oxy]butanoic acid；obicetrapib；(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl]-[5-(3-carboxypropoxy)-pyrimidin-2-yl]}amino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester；4-[2-[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2R,4S)-1-ethoxycarbonyl-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]amino]pyrimidin-5-yl]oxybutanoic acid
• CAS: 866399-87-3
• 化学式: C₃₂H₃₁F₉N₄O₅
• 分子量: 722.608
• InChiKey: NRWORBQAOQVYBJ-GJZUVCINSA-N

物化性质

• 沸点：
  692.5±65.0 °C(Predicted)
• 密度：
  1.394±0.06 g/cm3(Predicted)
• pKa：
  4.52±0.10 (Predicted,Most Acidic Temp: 25 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  50
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  105
• 氢给体数：
  1
• 氢受体数：
  17

安全信息

• 储存条件：
  -20°C，密闭保存，并保持干燥。

制备方法与用途

Omicorib is a CETP inhibitor that raises high-density lipoprotein cholesterol (HDL-C) and reduces low-density lipoprotein cholesterol (LDL-C), both alone and in combination with statin therapy.

反应信息

• 作为反应物：
  描述：

  4-((2-((3,5-双(三氟甲基)苄基)((2R,4S)-1-(乙氧羰基)-2-乙基-6-(三氟甲基)-1,2,3,4-四氢喹啉-4-基)氨基)-5-嘧啶基)氧代)丁酸 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl]-[5-(3-carboxypropoxy)-pyrimidin-2-yl]}amino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester sodium salt
  参考文献：
  名称：

  [EN] TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME
  [FR] DERIVES DE TETRAHYDROQUINOLINE ET PROCEDE D'ELABORATION DESDITS DERIVES

  摘要：

  公开号：

  WO2005095409A3
• 作为产物：
  描述：

  (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl]-[5-(3-ethoxycarbonylpropoxy)-pyrimidin-2-yl]}amino-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid ethyl ester 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 生成 4-((2-((3,5-双(三氟甲基)苄基)((2R,4S)-1-(乙氧羰基)-2-乙基-6-(三氟甲基)-1,2,3,4-四氢喹啉-4-基)氨基)-5-嘧啶基)氧代)丁酸
  参考文献：
  名称：

  [EN] TETRAHYDROQUINOLINE DERIVATIVES AND A PROCESS FOR PREPARING THE SAME
  [FR] DERIVES DE TETRAHYDROQUINOLINE ET PROCEDE D'ELABORATION DESDITS DERIVES

  摘要：

  公开号：

  WO2005095409A3

文献信息

• [EN] PROCESS FOR PREPARING SYNTHETIC INTERMEDIATES FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES<br/>[FR] PROCÉDÉ DE PRÉPARATION D'INTERMÉDIAIRES SYNTHÉTIQUES POUR LA PRÉPARATION DE DÉRIVÉS DE TÉTRAHYDROQUINOLÉINE
  申请人：DEZIMA PHARMA B V

  公开号：WO2016024858A1

  公开（公告）日：2016-02-18

  The present invention relates to a process for the preparation of synthetic intermediates which may be used in the preparation of tetrahydroquinoline derivatives, which derivatives have an inhibitory activity against cholesteryl transfer protein (CETP), show effects of increasing HDL cholesterol level and decreasing LDL cholesterol level, and can be used for the treatment and/or prevention of diseases such as arteriosclerotic diseases, hyperlipidemia, dyslipidemia and the like.

  本发明涉及一种用于合成中间体的制备方法，这些中间体可用于合成四氢喹啉衍生物，这些衍生物对胆固醇转运蛋白（CETP）具有抑制活性，表现出增加HDL胆固醇水平和降低LDL胆固醇水平的效果，并可用于治疗和/或预防动脉粥样硬化疾病、高脂血症、血脂异常等疾病。
• Process for preparing tetrahydroquinoline derivatives
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08084611B2

  公开（公告）日：2011-12-27

  The present invention is to provide a process for preparing optically active tetrahydroquinoline derivatives which can be used for the treatment and/or prevention of diseases such as arteriosclerotic diseases, dyslipidemia and the like, and a process for preparing synthetic intermediates thereof. Specifically, (2R,4S)-2-ethyl-6-trifluoromethyl-1,2,3,4-tetrahydroquinolin-4-ylamine or a salt thereof is prepared with fewer steps without using an optical resolution, and the optically active tetrahydroquinoline derivatives are obtained from the amine compound.

  本发明提供一种制备光学活性四氢喹啉衍生物的方法，可用于治疗和/或预防动脉硬化性疾病、血脂异常等疾病，以及制备其合成中间体的方法。具体而言，本发明通过少量步骤制备(2R,4S)-2-乙基-6-三氟甲基-1,2,3,4-四氢喹啉-4-胺或其盐，而无需使用光学分辨，从胺化合物中获得光学活性的四氢喹啉衍生物。
• Pharmaceutical composition and therapeutic combination comprising a cholesteryl ester transfer protein inhibitor and HMG CoA reductase inhibitors
  申请人：DEZIMA PHARMA B.V.

  公开号：US10300059B2

  公开（公告）日：2019-05-28

  The present invention relates to a pharmaceutical composition and a therapeutic combination comprising a novel cholesteryl ester transfer protein (CETP) inhibitor and a HMG CoA Reductase inhibitor, which may be used in the treatment of subjects suffering from or having an increased risk for cardiovascular diseases, in particular hyperlipidemia or mixed dyslipidemia.

  本发明涉及一种药物组合物和一种治疗组合物，其中包含一种新型胆固醇酯转移蛋白（CETP）抑制剂和一种HMG CoA还原酶抑制剂，可用于治疗心血管疾病患者或心血管疾病风险增加的患者，特别是高脂血症或混合型血脂异常。
• Cholesteryl ester transfer protein (CETP) inhibitor and pharmaceutical compositions comprising said inhibitor for use in the treatment or prevention of cardiovascular diseases
  申请人：DEZIMA PHARMA B.V.

  公开号：US10653692B2

  公开（公告）日：2020-05-19

  The present invention relates to a cholesteryl ester transfer protein (CETP) inhibitor: (hereinafter referred to as Compound A) for use in the treatment of subjects suffering from or having an increased risk for cardiovascular diseases, in particular hyperlipidemia or mixed dyslipidemia. A further aspect of the present invention relates to a pharmaceutical composition for use in the treatment of subjects suffering from or having an increased risk for cardiovascular diseases, wherein the composition comprises a therapeutically effective amount of said Compound A CETP inhibitor.

  本发明涉及一种胆固醇酯转移蛋白（CETP）抑制剂： (以下简称化合物A），用于治疗心血管疾病，特别是高脂血症或混合性血脂异常，或心血管疾病风险增加的患者。本发明的另一方面涉及一种用于治疗心血管疾病患者或心血管疾病风险增加的患者的药物组合物，其中该组合物包含治疗有效量的所述化合物 A CETP 抑制剂。
• PROCESS FOR PREPARING SYNTHETIC INTERMEDIATES FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES
  申请人：NewAmsterdam Pharma B.V.

  公开号：EP3180314B1

  公开（公告）日：2022-06-22