1-Ethyl-7-methylindole-3-carboxylic acid | 858515-75-0

• 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: 1-Ethyl-7-methylindole-3-carboxylic acid
• CAS: 858515-75-0
• 化学式: C₁₂H₁₃NO₂
• 分子量: 203.241
• InChiKey: COSFHQCTAQFCFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-Ethyl-7-methylindole-3-carboxylic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [4-(3-Aminomethyl-phenyl)-piperidin-1-yl]-(1-ethyl-7-methyl-1H-indol-3-yl)-methanone; compound with trifluoro-acetic acid
  参考文献：
  名称：

  Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase

  摘要：

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.002
• 作为产物：
  描述：

  7-甲基-1H-吲哚-3-羧酸甲酯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 1-Ethyl-7-methylindole-3-carboxylic acid
  参考文献：
  名称：

  Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase

  摘要：

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.002

文献信息

• Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase
  作者：Corey R. Hopkins、Mark Czekaj、Steven S. Kaye、Zhongli Gao、James Pribish、Henry Pauls、Guyan Liang、Keith Sides、Dona Cramer、Jennifer Cairns、Yongyi Luo、Heng-Keang Lim、Roy Vaz、Sam Rebello、Sebastian Maignan、Alain Dupuy、Magali Mathieu、Julian Levell

  DOI：10.1016/j.bmcl.2005.04.002

  日期：2005.6

  A new series of novel mast cell tryptase inhibitors is reported, which features the use of an indole structure as the hydrophobic substituent on a m-benzylaminepiperidine template. The best members of this series display good in vitro activity and excellent selectivity against other serine proteases. (c) 2005 Elsevier Ltd. All rights reserved.