5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(1-trityl-1H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile | 717832-82-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(1-trityl-1H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
• CAS: 717832-82-1
• 化学式: C₄₄H₃₂ClN₅O₂
• 分子量: 698.223
• InChiKey: QCLDNEIOTPXCCT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.79
• 重原子数：
  52.0
• 可旋转键数：
  10.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  96.63
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(1-trityl-1H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile 在 溶剂黄146 作用下， 以11%的产率得到5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(3H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Pyridone-Containing farnesyltransferase inhibitors: synthesis and biological evaluation

  摘要：

  Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.058
• 作为产物：
  描述：

  4-氰基苯甲醛 在 乙基溴化镁 、 silver(l) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 5-(3-Chloro-phenyl)-6-[(4-cyano-phenyl)-(1-trityl-1H-imidazol-4-yl)-methoxymethyl]-1-methyl-2-oxo-1,2-dihydro-pyridine-3-carbonitrile
  参考文献：
  名称：

  Pyridone-Containing farnesyltransferase inhibitors: synthesis and biological evaluation

  摘要：

  Farnesyltransferase inhibitors (FTIs) have been developed as potential anti-cancer agents due to their efficacy in blocking malignant growth in a variety of murine models of human tumors. To that end, we have developed a series of pyridone farnesyltransferase inhibitors with potent in vitro and cellular activity. The synthesis, SAR and biological properties of these compounds will be discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.058