Methyl 4-[[(2-phenylbenzoyl)amino]methyl]benzoate | 471924-99-9

• 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: Methyl 4-[[(2-phenylbenzoyl)amino]methyl]benzoate
• CAS: 471924-99-9
• 化学式: C₂₂H₁₉NO₃
• 分子量: 345.398
• InChiKey: NESWWPJZXPGLOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 4-[[(2-phenylbenzoyl)amino]methyl]benzoate 在 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 4-(((1,1'-biphenyl)-2-ylcarbonyl)aminomethyl)benzoic acid
  参考文献：
  名称：

  Novel histone deacetylase inhibitors: N-hydroxycarboxamides possessing a terminal bicyclic aryl group

  摘要：

  Utilizing tranexamic acid as a starting material, a series of N-hydroxycarboxamides were synthesized in order to seek new histone deacetylase (HDAC) inhibitors. Further structure optimization involving the replacement of the 1,4-cyclohexylene group with the 1,4-phenylene group yielded the promising HDAC inhibitors which possess a terminal bicyclic aryl amide. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00175-0
• 作为产物：
  描述：

  2-苯基苯甲酰氯 、 4-氨甲基苯甲酸甲酯盐酸盐 在 TEA 作用下， 以 二氯甲烷 为溶剂， 生成 Methyl 4-[[(2-phenylbenzoyl)amino]methyl]benzoate
  参考文献：
  名称：

  Novel histone deacetylase inhibitors: N-hydroxycarboxamides possessing a terminal bicyclic aryl group

  摘要：

  Utilizing tranexamic acid as a starting material, a series of N-hydroxycarboxamides were synthesized in order to seek new histone deacetylase (HDAC) inhibitors. Further structure optimization involving the replacement of the 1,4-cyclohexylene group with the 1,4-phenylene group yielded the promising HDAC inhibitors which possess a terminal bicyclic aryl amide. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00175-0

文献信息

• Novel histone deacetylase inhibitors: N-hydroxycarboxamides possessing a terminal bicyclic aryl group
  作者：Shinichi Uesato、Manabu Kitagawa、Yasuo Nagaoka、Taishi Maeda、Hiroshi Kuwajima、Takao Yamori

  DOI：10.1016/s0960-894x(02)00175-0

  日期：2002.5

  Utilizing tranexamic acid as a starting material, a series of N-hydroxycarboxamides were synthesized in order to seek new histone deacetylase (HDAC) inhibitors. Further structure optimization involving the replacement of the 1,4-cyclohexylene group with the 1,4-phenylene group yielded the promising HDAC inhibitors which possess a terminal bicyclic aryl amide. (C) 2002 Elsevier Science Ltd. All rights reserved.