1-(1-苯基-1H-吡唑-4-基)乙胺 | 936940-64-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(1-苯基-1H-吡唑-4-基)乙胺
• 英文名称: 1-(1-Phenyl-1H-pyrazol-4-YL)ethanamine
• 英文别名: 1-(1-phenylpyrazol-4-yl)ethanamine
• CAS: 936940-64-6
• 化学式: C₁₁H₁₃N₃
• mdl: MFCD05864489
• 分子量: 187.24
• InChiKey: IOAUCNVBBMEIQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933199090

反应信息

• 作为反应物：
  描述：

  (S)-3-(2-chloropyrimidin-4-yl)-4-isopropyloxazolidin-2-one 、 1-(1-苯基-1H-吡唑-4-基)乙胺 在 水 、 乙酸乙酯 、 Sodium sulfate-III 、 Silica gel 、 ethyl acetate heptane 作用下， 以 二甲基亚砜 、 乙酸乙酯 为溶剂， 反应 1.5h， 以Silica gel column chromatography (EtOAc/Heptane 20 to 80%) provided (S)-4-isopropyl-3-(2-((R)-1-(1-phenyl-1H-pyrazol-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one and (S)-4-isopropyl-3-(2-((S)-1-(1-phenyl-1H-pyrazol-4-yl)ethylamino)pyrimidin-4-yl)oxazolidin-2-one的产率得到(S)-4-isopropyl-3-(2-((R)-1-(1-phenyl-1H-pyrazol-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

• 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：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：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。