2,4-Dichloro-6-(pyridin-4-yl)pyrimidine | 53345-49-6

• 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: 2,4-Dichloro-6-(pyridin-4-yl)pyrimidine
• 英文别名: 2,4-dichloro-6-pyridin-4-ylpyrimidine
• CAS: 53345-49-6
• 化学式: C₉H₅Cl₂N₃
• mdl: MFCD21099881
• 分子量: 226.065
• InChiKey: NXHWJQTVRIKAMU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氨基-5-甲基吡唑 、 2,4-Dichloro-6-(pyridin-4-yl)pyrimidine 在 N,N-二甲基甲酰胺 作用下， 生成
  参考文献：
  名称：

  The discovery of the potent aurora inhibitor MK-0457 (VX-680)

  摘要：

  The identification of a novel series of Aurora kinase inhibitors and exploitation of their SAR is described. Replacement of the initial quinazoline core with a pyrimidine scaffold and modi. cation of substituents led to a series of very potent inhibitors of cellular proliferation. MK-0457 (VX-680) has been assessed in Phase II clinical trials in patients with treatment-refractory chronic myelogenous leukemia (CML) or Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph + ALL) containing the T315I mutation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.136

文献信息

• The discovery of the potent aurora inhibitor MK-0457 (VX-680)
  作者：David Bebbington、Hayley Binch、Jean-Damien Charrier、Simon Everitt、Damien Fraysse、Julian Golec、David Kay、Ronald Knegtel、Chau Mak、Francesca Mazzei、Andrew Miller、Michael Mortimore、Michael O’Donnell、Sanjay Patel、Francoise Pierard、Joanne Pinder、John Pollard、Sharn Ramaya、Daniel Robinson、Alistair Rutherford、John Studley、James Westcott

  DOI：10.1016/j.bmcl.2009.04.136

  日期：2009.7

  The identification of a novel series of Aurora kinase inhibitors and exploitation of their SAR is described. Replacement of the initial quinazoline core with a pyrimidine scaffold and modi. cation of substituents led to a series of very potent inhibitors of cellular proliferation. MK-0457 (VX-680) has been assessed in Phase II clinical trials in patients with treatment-refractory chronic myelogenous leukemia (CML) or Philadelphia chromosome-positive acute lymphoblastic leukemia (Ph + ALL) containing the T315I mutation. (C) 2009 Elsevier Ltd. All rights reserved.