benzyl 4-(4-((S)-1-((4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-yl)amino)ethyl)benzyl)piperazine-1-carboxylate | 1429176-78-2

• 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: benzyl 4-(4-((S)-1-((4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-yl)amino)ethyl)benzyl)piperazine-1-carboxylate
• 英文别名: benzyl 4-(4-((S)-1-(4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-ylamino)ethyl)benzyl)piperazine-1-carboxylate；benzyl 4-[[4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]methyl]piperazine-1-carboxylate
• CAS: 1429176-78-2
• 化学式: C₃₁H₃₈N₆O₄
• 分子量: 558.681
• InChiKey: DVDWCHHLKXYBCX-WNCULLNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  benzyl 4-(4-((S)-1-((4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-yl)amino)ethyl)benzyl)piperazine-1-carboxylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙醇 为溶剂， 以82%的产率得到(S)-4-isopropyl-3-(2-(((S)-1-(4-(piperazin-1-ylmethyl)phenyl)ethyl)amino)pyrimidin-4-yl)oxazolidin-2-one
  参考文献：
  名称：

  [EN] INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF
  [FR] INHIBITEURS D'ISOCITRATE DÉSHYDROGÉNASES MUTANTES, COMPOSITIONS ET PROCÉDÉS CORRESPONDANTS

  摘要：

  该发明提供了用于治疗癌症或相关疾病或障碍的新型化合物，以及其制备和使用的药物组合物和方法。

  公开号：

  WO2018118793A1
• 作为产物：
  描述：

  4-[(1S)-1-氨基乙基]苯甲酸甲酯 在 盐酸 、 lithium aluminium tetrahydride 、 potassium carbonate 、 甲基磺酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 二甲基亚砜 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.5h， 生成 benzyl 4-(4-((S)-1-((4-((S)-4-isopropyl-2-oxooxazolidin-3-yl)pyrimidin-2-yl)amino)ethyl)benzyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF
  [FR] INHIBITEURS D'ISOCITRATE DÉSHYDROGÉNASES MUTANTES, COMPOSITIONS ET PROCÉDÉS CORRESPONDANTS

  摘要：

  该发明提供了用于治疗癌症或相关疾病或障碍的新型化合物，以及其制备和使用的药物组合物和方法。

  公开号：

  WO2018118793A1

文献信息

• 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：VESTAS WIND SYSTEMS A/S

  公开号：US20140235620A1

  公开（公告）日：2014-08-21

  The invention is directed to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 -R 6 are defined herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  该发明涉及公式（I）的化合物或其药用盐，其中R1-R6在此处定义。该发明还涉及含有公式（I）化合物的组合物，以及利用这些化合物抑制具有新型活性的突变IDH蛋白。该发明还涉及利用公式（I）的化合物治疗与这些突变IDH蛋白相关的疾病或紊乱，包括但不限于细胞增殖紊乱，如癌症。
• [EN] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH<br/>[FR] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES COMME INHIBITEURS D'IDH MUTANTE
  申请人：NOVARTIS AG

  公开号：WO2013046136A1

  公开（公告）日：2013-04-04

  The invention is directed to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1-R6 are defined herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formual (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  该发明涉及公式(I)的化合物或其药学上可接受的盐，其中R1-R6在此处被定义。该发明还涉及含有公式(I)化合物的组合物，以及利用这些化合物抑制具有新型活性的突变IDH蛋白。该发明还涉及利用公式(I)的化合物治疗与这些突变IDH蛋白相关的疾病或紊乱，包括但不限于细胞增殖紊乱，如癌症。
• 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH
  申请人：Caferro Thomas Raymond

  公开号：US08957068B2

  公开（公告）日：2015-02-17

  The invention is directed to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R1-R6 are defined herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  本发明涉及式（I）的化合物或其药学上可接受的盐，其中R1-R6在此定义。本发明还涉及含有式（I）的化合物的组合物，并且涉及使用这种化合物来抑制具有新型活性的突变IDH蛋白质。本发明还涉及使用式（I）的化合物来治疗与这种突变IDH蛋白质相关的疾病或紊乱，包括但不限于细胞增殖紊乱，如癌症。
• Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof
  申请人：IsoCure Biosciences Inc.

  公开号：US11149032B2

  公开（公告）日：2021-10-19

  The invention provides novel chemical compounds useful for treating cancer, or a related disease or disorder thereof, and pharmaceutical composition and methods of preparation and use thereof.

  本发明提供了可用于治疗癌症或相关疾病或紊乱的新型化合物，以及药物组合物及其制备和使用方法。
• 3-(PYRIMIDIN-4-YL)-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：Novartis AG

  公开号：EP2771337B1

  公开（公告）日：2017-08-02