5-(1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)-3-phenyl-2-propynyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile | 371762-41-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 5-(1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)-3-phenyl-2-propynyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile
• 英文别名: 4-[1-Hydroxy-1-(3-methylimidazol-4-yl)-3-phenylprop-2-ynyl]-2-(2-methylphenyl)benzonitrile
• CAS: 371762-41-3
• 化学式: C₂₇H₂₁N₃O
• 分子量: 403.483
• InChiKey: TXMWWHNPHYEWNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  61.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)-3-phenyl-2-propynyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile 在 钯 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 5-(1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)-3-phenylpropyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile
  参考文献：
  名称：

  Substituted phenyl farnesyltransferase inhibitors

  摘要：

  式(I)的化合物或其药学上可接受的盐，抑制法尼基转移酶。公开了制备这些化合物的方法，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。

  公开号：

  US20020019527A1
• 作为产物：
  描述：

  5-(hydroxy(1-methyl-1H-imidazol-5-yl)methyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile 在 manganese(IV) oxide 、 bis-triphenylphosphine-palladium(II) chloride 、 叔丁基锂 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-(1-hydroxy-1-(1-methyl-1H-imidazol-5-yl)-3-phenyl-2-propynyl)-2'-methyl(1,1'-biphenyl)-2-carbonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of 4-[3-biphenyl-2-yl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-benzonitrile as novel farnesyltransferase inhibitor

  摘要：

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anti-cancer 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 synthesis and detailed biological data of this series of analogues are presented. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00122-7

文献信息

• Substituted phenyl farnesyltransferase inhibitors
  申请人：——

  公开号：US20020019527A1

  公开（公告）日：2002-02-14

  Compounds of formula (I) 1 or pharmaceutically acceptable salts thereof, inhibit farnesyltransferase. Methods for making the compounds, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds are disclosed.

  式(I)的化合物或其药学上可接受的盐，抑制法尼基转移酶。公开了制备这些化合物的方法，含有这些化合物的药物组合物，以及使用这些化合物进行治疗的方法。
• Synthesis and biological evaluation of 4-[3-biphenyl-2-yl-1-hydroxy-1-(3-methyl-3H-imidazol-4-yl)-prop-2-ynyl]-1-yl-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/s0960-894x(03)00122-7

  日期：2003.4

  Farnesyltransferase inhibitors (FTIs) have emerged as a novel class of anti-cancer 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 synthesis and detailed biological data of this series of analogues are presented. (C) 2003 Elsevier Science Ltd. All rights reserved.