2-(4-Methyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indole | 656257-38-4

• 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: 2-(4-Methyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indole
• 英文别名: 2-(5-methyl-4-propyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indole
• CAS: 656257-38-4
• 化学式: C₁₅H₁₉N₃
• 分子量: 241.336
• InChiKey: PMXMCUGPIUKYHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-Methyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indole 在 N-甲基吗啉 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-Amino-1-[2-(4-methyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
  参考文献：
  名称：

  Tripeptidyl-peptidase II (TPP II) inhibitory activity of ( S )-2,3-dihydro-2-(1 H -imidazol-2-yl)-1 H -indoles, a systematic SAR evaluation. Part 2

  摘要：

  We have systematically explored the structure-activity relationship (SAR) for a series of compounds 2 as inhibitors of tripeptidyl-peptidase II (TPP II), a serine protease responsible for the degradation of cholecystokinin-8 (CCK-8). This SAR evaluation of the core structure 2 suggest a fairly restrictive pharmacophore for such related structures, but has yielded a limited set of compounds (2b, 2c, 2d, 2s, and 2t) with potent TPP II inhibitory activity (IC50 4-11 nM). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.014
• 作为产物：
  描述：

  2-(羟基甲基)吲哚啉-1-羧酸叔丁酯 在 ammonium acetate 、 戴斯-马丁氧化剂 、 溶剂黄146 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-Methyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydro-1H-indole
  参考文献：
  名称：

  Tripeptidyl-peptidase II (TPP II) inhibitory activity of ( S )-2,3-dihydro-2-(1 H -imidazol-2-yl)-1 H -indoles, a systematic SAR evaluation. Part 2

  摘要：

  We have systematically explored the structure-activity relationship (SAR) for a series of compounds 2 as inhibitors of tripeptidyl-peptidase II (TPP II), a serine protease responsible for the degradation of cholecystokinin-8 (CCK-8). This SAR evaluation of the core structure 2 suggest a fairly restrictive pharmacophore for such related structures, but has yielded a limited set of compounds (2b, 2c, 2d, 2s, and 2t) with potent TPP II inhibitory activity (IC50 4-11 nM). (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.014