1-(2-(((6-(bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)pyrrolidin-2-one | 1429200-66-7

• 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: 1-(2-(((6-(bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)pyrrolidin-2-one
• 英文别名: 1-(2-(((6-(Bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)pyrrolidin-2-one；1-[2-[[6-[bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[3,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]pyrrolidin-2-one
• CAS: 1429200-66-7
• 化学式: C₃₇H₄₂F₆N₈O
• 分子量: 728.784
• InChiKey: ZLFJEQSWPOUTQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  52
• 可旋转键数：
  12
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  83.3
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  5-(((3,5-bis(trifluoromethyl)benzyl)amino)methyl)-1-(tert-butyl)-N,N-bis(cyc lopropylmethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-6-amine 在 copper(l) iodide 、 cyclohexanediamine 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.0h， 生成 1-(2-(((6-(bis(cyclopropylmethyl)amino)-1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)(3,5-bis(trifluoromethyl)benzyl)amino)pyrimidin-5-yl)pyrrolidin-2-one
  参考文献：
  名称：

  [EN] 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER -TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS
  [FR] DÉRIVÉS DE 5 - BENZYLAMINOMÉTHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE UTILES COMME INHIBITEURS DE LA CHOLESTÉRYL ESTER -TRANSFER PROTÉINE (CETP) DANS LE TRAITEMENT DE L'ATHÉROSCLÉROSE

  摘要：

  本申请涉及一系列取代吡嗪吡啶-6-胺化合物，其具有通式（I），包括它们的立体异构体和/或其药用可接受的盐。其中R、R1、R2、Ra、Raa、Rb和n如本文所定义。本发明还涉及包含通式（I）化合物的药物组合物。本申请中的化合物可用作CETP抑制剂，用于增加患者的HDL胆固醇并降低LDL胆固醇。

  公开号：

  WO2013046045A1

文献信息

• 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B] PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS
  申请人：DR. REDDY'S LABORATORIES, LTD.

  公开号：US20140288072A1

  公开（公告）日：2014-09-25

  The present application relates to a series of substituted pyra-zolopyridin-6-amines having the general formula (I), including their stereoisomers and/or their pharmaceutically acceptable salts. Wherein R, R 1 , R 2 , R a , R aa , R b and n are as defined herein. The present invention further relates to pharmaceutical compositions comprising compounds of formula (I). The compounds of this application are useful as CETP inhibitors for increasing HDL cholesterol and decreasing LDL cholesterol in a patient.

  本申请涉及一系列取代的吡唑吡啶-6-胺衍生物，其具有通式（I），包括其立体异构体和/或其药学上可接受的盐。其中R，R1，R2，Ra，Raa，Rb和n的定义如本文所述。本发明还涉及包含式（I）化合物的制药组合物。本申请的化合物可用作CETP抑制剂，以增加患者的高密度脂蛋白胆固醇并降低低密度脂蛋白胆固醇。
• 5-benzylaminomethyl-6-aminopyrazolo [3, 4 -B] pyridine derivatives as cholesteryl ester-transfer protein (CETP) inhibitors useful for the treatment of atherosclerosis
  申请人：Dr. Reddy's Laboratories, Ltd.

  公开号：US09000007B2

  公开（公告）日：2015-04-07

  The present application relates to a series of substituted pyra-zolopyridin-6-amines having the general formula (I), including their stereoisomers and/or their pharmaceutically acceptable salts. Wherein R, R1, R2, Ra, Raa, Rb and n are as defined herein. The present invention further relates to pharmaceutical compositions comprising compounds of formula (I). The compounds of this application are useful as CETP inhibitors for increasing HDL cholesterol and decreasing LDL cholesterol in a patient.

  本申请涉及一系列取代的吡唑并吡啶-6-胺化合物，其具有一般式（I），包括它们的立体异构体和/或它们的药学上可接受的盐。其中R、R1、R2、Ra、Raa、Rb和n的定义如本文所述。本发明还涉及包括式（I）化合物的制药组合物。本申请的化合物在患者中作为CETP抑制剂有用，可增加HDL胆固醇并降低LDL胆固醇。
• 5-BENZYLAMINOMETHYL-6-AMINOPYRAZOLO[3,4-b]PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER-TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP2760864B1

  公开（公告）日：2018-01-24
• 5 - BENZYLAMINOMETHYL - 6 - AMINOPYRAZOLO [3, 4 -B]PYRIDINE DERIVATIVES AS CHOLESTERYL ESTER -TRANSFER PROTEIN (CETP) INHIBITORS USEFUL FOR THE TREATMENT OF ATHEROSCLEROSIS
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP2760864A1

  公开（公告）日：2014-08-06
• PHARMACEUTICAL COMPOSITIONS OF CETP INHIBITORS
  申请人：DR. REDDY'S LABORATORIES LTD.

  公开号：US20160000799A1

  公开（公告）日：2016-01-07

  The present application discloses a pharmaceutical composition comprising a class of cholesteryl ester transfer protein (CETP) inhibitors with improved oral bioavailability. The application further discloses compositions comprising a class of CETP inhibitor and at least one surfactant in the form of a solution, suspension, emulsion or a pre-concentrate.