4-[[4-(1-methylethyl)phenyl]methoxy]benzeneacetonitrile

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 4-[[4-(1-methylethyl)phenyl]methoxy]benzeneacetonitrile
• 英文别名: 2-[4-[(4-Propan-2-ylphenyl)methoxy]phenyl]acetonitrile
• 化学式: C₁₈H₁₉NO
• 分子量: 265.355
• InChiKey: OZCMLCZVWDCUET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[[4-(1-methylethyl)phenyl]methoxy]benzeneacetonitrile 在 potassium 2-methyl-2-butoxide 、 potassium carbonate 、 一水合肼 、 溶剂黄146 、 甲基磺酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 55.0h， 生成 [7-[4-[(4-propan-2-ylphenyl)methoxy]phenyl]-6-pyridin-4-yl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-2-yl]methanol
  参考文献：
  名称：

  [EN] SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AND 2,3-DIHYDRO-1H-IMIDAZO[1,2-b]PYRAZOLE DERIVATIVES AS ROS1 INHIBITORS
  [FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE ET DÉRIVÉS 2,3-DIHYDRO-1H-IMIDAZO[1,2-B]PYRAZOLE SUBSTITUÉS COMME INHIBITEURS DE ROS1

  摘要：

  本发明涉及式(I)的取代的4,5,6,7-四氢吡唑并[1,5-a]嘧啶衍生物和2,3-二氢-1H-咪唑并[1,2-b]吡唑衍生物，以及式(I')的化合物，其中变量具有权利要求中定义的含义。根据本发明的化合物可作为ROS1抑制剂使用。本发明还涉及制备此类新颖化合物的方法、包含所述化合物作为活性成分的药物组合物，以及所述化合物作为药物的用途。

  公开号：

  WO2015144801A1

文献信息

• Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine derivatives and 2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives as ROS1 inhibitors
  申请人：Janssen Pharmaceutica NV

  公开号：US10342795B2

  公开（公告）日：2019-07-09

  The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine derivatives and 2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives of formula (I) and also compounds of formula (I′) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS1 inhibitors. The invention further relates to processes for preparing novel compounds of the present invention, pharmaceutical compositions comprising compounds of the present invention as an active ingredient as well as the use of compounds of the present invention as a medicament.

  本发明涉及式 (I) 的取代的 4,5,6,7-四氢吡唑并[1,5-a]嘧啶衍生物和 2,3-二氢-1H-咪唑并[1,2-b]吡唑衍生物 以及式（I′）化合物 其中的变量具有权利要求中定义的含义。根据本发明的化合物可用作 ROS1 抑制剂。本发明进一步涉及制备本发明新型化合物的工艺、包含本发明化合物作为活性成分的药物组合物以及本发明化合物作为药物的用途。
• SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND 2,3-DIHYDRO-1H-IMIDAZO[1,2-B]PYRAZOLE DERIVATIVES AS ROS1 INHIBITORS
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP3126366B1

  公开（公告）日：2018-06-06
• SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AND 2,3-DIHYDRO-1H-IMIDAZO[1,2-b]PYRAZOLE DERIVATIVES AS ROS1 INHIBITORS
  申请人：Janssen Pharmaceutica NV

  公开号：US20170173014A1

  公开（公告）日：2017-06-22

  The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine derivatives and 2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives of formula (I) and also compounds of formula (I′) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS1 inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.
• [EN] SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AND 2,3-DIHYDRO-1H-IMIDAZO[1,2-b]PYRAZOLE DERIVATIVES AS ROS1 INHIBITORS<br/>[FR] DÉRIVÉS 4,5,6,7-TÉTRAHYDRO-PYRAZOLO[1,5-A]PYRIMIDINE ET DÉRIVÉS 2,3-DIHYDRO-1H-IMIDAZO[1,2-B]PYRAZOLE SUBSTITUÉS COMME INHIBITEURS DE ROS1
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2015144801A1

  公开（公告）日：2015-10-01

  The present invention relates to substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine derivatives and 2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives of formula (I) and also compounds of formula (I') wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as ROS1 inhibitors. The invention further relates to processes for preparing such novel compounds, pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式(I)的取代的4,5,6,7-四氢吡唑并[1,5-a]嘧啶衍生物和2,3-二氢-1H-咪唑并[1,2-b]吡唑衍生物，以及式(I')的化合物，其中变量具有权利要求中定义的含义。根据本发明的化合物可作为ROS1抑制剂使用。本发明还涉及制备此类新颖化合物的方法、包含所述化合物作为活性成分的药物组合物，以及所述化合物作为药物的用途。