3-tetrafluoroethoxyphenylguanidine | 152460-13-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 3-tetrafluoroethoxyphenylguanidine
• 英文别名: N-[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]guanidine；2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]guanidine
• CAS: 152460-13-4
• 化学式: C₉H₉F₄N₃O
• 分子量: 251.184
• InChiKey: DZLQUQRFYZPWPQ-UHFFFAOYSA-N

物化性质

• 沸点：
  277.8±50.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (E)-3-(二甲基氨基)-1-(吡啶-4-基)丙-2-烯-1-酮 、 3-tetrafluoroethoxyphenylguanidine 以 异丙醇 为溶剂， 生成 4-(pyridin-4-yl)-N-(3-(1,1,2,2-tetrafluoroethoxy)phenyl)pyrimidin-2-amine
  参考文献：
  名称：

  Potent and selective inhibitors of the Abl-kinase: phenylamino-pyrimidine (PAP) derivatives

  摘要：

  Due to its relatively clear etiology, Chronic myelogenous leukemia (CML) represents an ideal disease target for a therapy using a selective inhibitor of the Bcr-Abl tyrosine protein kinase. Extensive optimization of the class of phenylamino-pyrimidines yielded highly potent and selective Bcr-Abl kinase inhibitors. Compound 1 shows high potency (IC50 = 38 nM) and selectivity for the Abl tyrosine protein kinase at the in vitro level. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00601-4

文献信息

• Potent and selective inhibitors of the Abl-kinase: phenylamino-pyrimidine (PAP) derivatives
  作者：Jürg Zimmermann、Elisabeth Buchdunger、Helmut Mett、Thomas Meyer、Nicholas B. Lydon

  DOI：10.1016/s0960-894x(96)00601-4

  日期：1997.1

  Due to its relatively clear etiology, Chronic myelogenous leukemia (CML) represents an ideal disease target for a therapy using a selective inhibitor of the Bcr-Abl tyrosine protein kinase. Extensive optimization of the class of phenylamino-pyrimidines yielded highly potent and selective Bcr-Abl kinase inhibitors. Compound 1 shows high potency (IC50 = 38 nM) and selectivity for the Abl tyrosine protein kinase at the in vitro level. (C) 1997, Elsevier Science Ltd.