4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-3-phenylethynyl-benzonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-3-phenylethynyl-benzonitrile
• 英文别名: 4-[[(4-cyanophenyl)-(3-methylimidazol-4-yl)methoxy]methyl]-3-(2-phenylethynyl)benzonitrile
• 化学式: C₂₈H₂₀N₄O
• 分子量: 428.493
• InChiKey: BBVMIKDYONNPSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  74.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-[hydroxy(3-methyl-3H-imidazol-4-yl)methyl]benzonitrile 在 copper(l) iodide 、 四(三苯基膦)钯 、 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 4-[(4-Cyano-phenyl)-(3-methyl-3H-imidazol-4-yl)-methoxymethyl]-3-phenylethynyl-benzonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-[(3-Methyl-3 H -imidazol-4-yl)-(2-phenylethynyl-benzyloxy)-methyl]-benzonitrile as novel farnesyltransferase inhibitor

  摘要：

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anticancer agents. Analogues of the potent FTI 4-[3-biphenyl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile, were synthesized and tested in vitro for their inhibitory activities. The most promising compound identified from this series is analogue 11 that possesses potent enzymatic and cellular activities. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.006

文献信息

• Synthesis and biological evaluation of 4-[(3-Methyl-3 H -imidazol-4-yl)-(2-phenylethynyl-benzyloxy)-methyl]-benzonitrile as novel farnesyltransferase inhibitor
  作者：Nan-Horng Lin、Le Wang、Jerry Cohen、Wen-Zhen Gu、David Frost、Haiying Zhang、Saul Rosenberg、Hing Sham

  DOI：10.1016/j.bmcl.2003.07.006

  日期：2003.11

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anticancer agents. Analogues of the potent FTI 4-[3-biphenyl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile, were synthesized and tested in vitro for their inhibitory activities. The most promising compound identified from this series is analogue 11 that possesses potent enzymatic and cellular activities. (C) 2003 Elsevier Ltd. All rights reserved.