4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-2-methyl-imidazol-1-ylmethyl}-benzonitrile | 258848-39-4

• 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-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-2-methyl-imidazol-1-ylmethyl}-benzonitrile
• 英文别名: 4-[[5-[[4-(benzenesulfonyl)-3-methylanilino]methyl]-2-methylimidazol-1-yl]methyl]benzonitrile
• CAS: 258848-39-4
• 化学式: C₂₆H₂₄N₄O₂S
• 分子量: 456.568
• InChiKey: BUKGDCHDYIJODA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  96.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  环丙基甲酰氯 、 4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-2-methyl-imidazol-1-ylmethyl}-benzonitrile 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 Cyclopropanecarboxylic acid (4-benzenesulfonyl-3-methyl-phenyl)-[3-(4-cyano-benzyl)-2-methyl-3H-imidazol-4-ylmethyl]-amide
  参考文献：
  名称：

  Imidazole-containing diarylether and diarylsulfone inhibitors of farnesyl-protein transferase

  摘要：

  The design and syntheses of non-thiol inhibitors of farnesyl-protein transferase are described. Optimization of cysteine-substituted diarylethers led to highly potent imidazole-containing diarylethers and diarylsulfones. Polar diaryl linkers dramatically improved potency and gave highly cell active compounds. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00605-8
• 作为产物：
  描述：

  对氰基溴化苄 在 4 A molecular sieve 、 三乙酰氧基硼氢化钠 、 caesium carbonate 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-{5-[(4-Benzenesulfonyl-3-methyl-phenylamino)-methyl]-2-methyl-imidazol-1-ylmethyl}-benzonitrile
  参考文献：
  名称：

  Imidazole-containing diarylether and diarylsulfone inhibitors of farnesyl-protein transferase

  摘要：

  The design and syntheses of non-thiol inhibitors of farnesyl-protein transferase are described. Optimization of cysteine-substituted diarylethers led to highly potent imidazole-containing diarylethers and diarylsulfones. Polar diaryl linkers dramatically improved potency and gave highly cell active compounds. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00605-8

文献信息

• Imidazole-containing diarylether and diarylsulfone inhibitors of farnesyl-protein transferase
  作者：Christopher J. Dinsmore、Theresa M. Williams、Timothy J. O'Neill、Dongming Liu、Elaine Rands、J.Christopher Culberson、Robert B. Lobell、Kenneth S. Koblan、Nancy E. Kohl、Jackson B. Gibbs、Allen I. Oliff、Samuel L. Graham、George D. Hartman

  DOI：10.1016/s0960-894x(99)00605-8

  日期：1999.12

  The design and syntheses of non-thiol inhibitors of farnesyl-protein transferase are described. Optimization of cysteine-substituted diarylethers led to highly potent imidazole-containing diarylethers and diarylsulfones. Polar diaryl linkers dramatically improved potency and gave highly cell active compounds. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.