3H-Indene-1-carboxylic acid (2-dimethylamino-ethyl)-methyl-amide | 351422-96-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚和异茚
• 英文名称: 3H-Indene-1-carboxylic acid (2-dimethylamino-ethyl)-methyl-amide
• CAS: 351422-96-3
• 化学式: C₁₅H₂₀N₂O
• 分子量: 244.337
• InChiKey: ONEUODNEGVYKMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  23.55
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  3-吡啶甲醛 、 3H-Indene-1-carboxylic acid (2-dimethylamino-ethyl)-methyl-amide 在 氢氧化钾 作用下， 以 甲醇 为溶剂， 生成 (3E)-N-[2-(dimethylamino)ethyl]-N-methyl-3-(pyridin-3-ylmethylidene)indene-1-carboxamide
  参考文献：
  名称：

  Design and pharmacology of quinuclidine derivatives as M2-selective muscarinic receptor ligands

  摘要：

  In our search for M-2-selective muscarinic receptor antagonists, we synthesized 1,3-disubstituted indenes. The effects of different basic moieties with regard to binding and selectivity towards the five distinct muscarinic receptor subtypes were investigated. The results show that the quinuclidine series afforded the most promising compounds in terms of both receptor affinity and M-2-subtype selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00186-x
• 作为产物：
  描述：

  1H-茚-3-羧酸 在 氯化亚砜 作用下， 以 四氢呋喃 、 苯 为溶剂， 生成 3H-Indene-1-carboxylic acid (2-dimethylamino-ethyl)-methyl-amide
  参考文献：
  名称：

  Design and pharmacology of quinuclidine derivatives as M2-selective muscarinic receptor ligands

  摘要：

  In our search for M-2-selective muscarinic receptor antagonists, we synthesized 1,3-disubstituted indenes. The effects of different basic moieties with regard to binding and selectivity towards the five distinct muscarinic receptor subtypes were investigated. The results show that the quinuclidine series afforded the most promising compounds in terms of both receptor affinity and M-2-subtype selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00186-x