2-(3-Aminopiperidin-1-yl)-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-c]pyridin-4-one | 1042165-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 2-(3-Aminopiperidin-1-yl)-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-c]pyridin-4-one
• CAS: 1042165-93-4
• 化学式: C₂₆H₂₈N₆O
• 分子量: 440.548
• InChiKey: AUCOHJQQGOKUDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  80.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl (1-(3-(but-2-yn-1-yl)-5-((3-methylisoquinolin-1-yl)methyl)-4-oxo-4,5-dihydro-3H-imidazo[4,5-c]pyridin-2-yl)piperidin-3-yl)carbamate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(3-Aminopiperidin-1-yl)-3-but-2-ynyl-5-[(3-methylisoquinolin-1-yl)methyl]imidazo[4,5-c]pyridin-4-one
  参考文献：
  名称：

  3,5-Dihydro-imidazo[4,5-d]pyridazin-4-ones: A class of potent DPP-4 inhibitors

  摘要：

  Systematic variations of the xanthine scaffold in close analogs of development compound BI 1356 led to the class of 3,5-dihydro-imidazo[4,5-d]pyridazin-4-ones which provided, after substituent screening, a series of highly potent DPP-4 inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.075

文献信息

• 3,5-Dihydro-imidazo[4,5-d]pyridazin-4-ones: A class of potent DPP-4 inhibitors
  作者：Matthias Eckhardt、Norbert Hauel、Frank Himmelsbach、Elke Langkopf、Herbert Nar、Michael Mark、Moh Tadayyon、Leo Thomas、Brian Guth、Ralf Lotz

  DOI：10.1016/j.bmcl.2008.04.075

  日期：2008.6

  Systematic variations of the xanthine scaffold in close analogs of development compound BI 1356 led to the class of 3,5-dihydro-imidazo[4,5-d]pyridazin-4-ones which provided, after substituent screening, a series of highly potent DPP-4 inhibitors. (C) 2008 Elsevier Ltd. All rights reserved.