Methyl 4-[[[(5-hydroxy-1H-indol-2-yl)carbonyl]amino]methyl]benzoate | 265311-88-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: Methyl 4-[[[(5-hydroxy-1H-indol-2-yl)carbonyl]amino]methyl]benzoate
• 英文别名: methyl 4-[[(5-hydroxy-1H-indole-2-carbonyl)amino]methyl]benzoate
• CAS: 265311-88-4
• 化学式: C₁₈H₁₆N₂O₄
• 分子量: 324.336
• InChiKey: JXIGIOAIZLJRQR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  91.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-[[[(5-hydroxy-1H-indol-2-yl)carbonyl]amino]methyl]benzoate 在 sodium hydroxide 作用下， 反应 1.0h， 生成 4-[[[(5-Hydroxy-1H-indol-2-yl)carbonyl]amino]methyl]benzoic acid
  参考文献：
  名称：

  The design, synthesis and activity of non-ATP competitive inhibitors of pp60c-src tyrosine kinase. Part 2: Hydroxyindole derivatives

  摘要：

  As part of a continuing effort to identify novel scaffolds that inhibit the pp60(c-src) protein tyrosine kinase, a series of hydroxyindole amides was rationally designed and synthesized. The most potent derivative was found to bind non-competitively with respect to ATP. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00040-8
• 作为产物：
  描述：

  4-氨甲基苯甲酸 在 盐酸 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 Methyl 4-[[[(5-hydroxy-1H-indol-2-yl)carbonyl]amino]methyl]benzoate
  参考文献：
  名称：

  The design, synthesis and activity of non-ATP competitive inhibitors of pp60c-src tyrosine kinase. Part 2: Hydroxyindole derivatives

  摘要：

  As part of a continuing effort to identify novel scaffolds that inhibit the pp60(c-src) protein tyrosine kinase, a series of hydroxyindole amides was rationally designed and synthesized. The most potent derivative was found to bind non-competitively with respect to ATP. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00040-8

文献信息

• The design, synthesis and activity of non-ATP competitive inhibitors of pp60c-src tyrosine kinase. Part 2: Hydroxyindole derivatives
  作者：Karen L Milkiewicz、Thomas H Marsilje、Richard P Woodworth、Neil Bifulco、Matthew J Hangauer、David G Hangauer

  DOI：10.1016/s0960-894x(00)00040-8

  日期：2000.3

  As part of a continuing effort to identify novel scaffolds that inhibit the pp60(c-src) protein tyrosine kinase, a series of hydroxyindole amides was rationally designed and synthesized. The most potent derivative was found to bind non-competitively with respect to ATP. (C) 2000 Elsevier Science Ltd. All rights reserved.