(S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: (S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one
• 英文别名: (4S)-3-[2-[[(1S)-1-piperidin-4-ylethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
• 化学式: C₁₇H₂₇N₅O₂
• 分子量: 333.434
• InChiKey: MOMLNSVMYWTIFW-GXTWGEPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  79.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  环丁酮 、 (S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以62%的产率得到(S)-3-{2-[(S)-1-(1-cyclobutyl-piperidin-4-yl)-ethylamino]-pyrimidin-4-yl}-4-isopropyl-oxazolidin-2-one
  参考文献：
  名称：

  3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH

  摘要：

  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。

  公开号：

  US20140235620A1
• 作为产物：
  描述：

  4-{(S)-1-[4-((S)-4-isopropyl-2-oxo-oxazolidin-3-yl)-pyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid benzyl ester 在 氢氧化钯 crude material 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以to give (S)-4-isopropyl-3-[2-((S)-1-piperidin-4-yl-ethylamino)-pyrimidin-4-yl]-oxazolidin-2-one (11 mg) in 70% yield的产率得到(S)-4-isopropyl-3-(2-((S)-1-(piperidin-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one
  参考文献：
  名称：

  3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH

  摘要：

  本发明涉及公式(I)的化合物或其药学上可接受的盐，其中R1-R6定义如本文所述。本发明还涉及含有公式(I)化合物的组合物，并且涉及使用这些化合物来抑制具有新型活性的突变IDH蛋白质。本发明还涉及使用公式(I)化合物来治疗与这些突变IDH蛋白质相关的疾病或疾病，包括但不限于细胞增殖紊乱，如癌症。

  公开号：

  US20140235620A1

文献信息

• [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：Novartis AG

  公开号：EP2771337B1

  公开（公告）日：2017-08-02
• US8957068B2
  申请人：——

  公开号：US8957068B2

  公开（公告）日：2015-02-17
• 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。
• 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。