methyl 2-(4-isopropoxyphenylsulfonamido)-3-(1H-indol-3-yl)propanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl 2-(4-isopropoxyphenylsulfonamido)-3-(1H-indol-3-yl)propanoate
• 英文别名: methyl 3-(1H-indol-3-yl)-2-[(4-propan-2-yloxyphenyl)sulfonylamino]propanoate
• 化学式: C₂₁H₂₄N₂O₅S
• 分子量: 416.498
• InChiKey: OUKBNFKVLATDCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  DL-色氨酸 在 氯化亚砜 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 methyl 2-(4-isopropoxyphenylsulfonamido)-3-(1H-indol-3-yl)propanoate
  参考文献：
  名称：

  Design and bio-evaluation of indole derivatives as potent Kv1.5 inhibitors

  摘要：

  Atrial fibrillation (AF) is one of the common arrhythmias that threaten human health. Kv1.5 potassium channel is reported as an efficacious and safe target for the treatment of AF. In this paper, we designed and synthesized three series of compounds through modifying the lead compound RH01617 that was screened out by the pharmacophore model we reported earlier. All of the compounds were evaluated by the whole-patch lamp technology and most of them possessed potent inhibitory activities against Kv1.5. Compounds IIIi and IIIl were evaluated for the target selectivity as well as the pharmacodynamic effects in an isolated rat model. Due to the promising pharmacological behavior, compound IIIl deserves further pharmacodynamic and pharmacokinetic evaluations. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.08.041

文献信息

• Design and bio-evaluation of indole derivatives as potent Kv1.5 inhibitors
  作者：Xiaoke Guo、Qian Yang、Jing Xu、Li Zhang、Hongxi Chu、Peng Yu、Yingying Zhu、Jinglian Wei、Weilin Chen、Yaozhong Zhang、Xiaojin Zhang、Haopeng Sun、Yiqun Tang、Qidong You

  DOI：10.1016/j.bmc.2013.08.041

  日期：2013.11

  Atrial fibrillation (AF) is one of the common arrhythmias that threaten human health. Kv1.5 potassium channel is reported as an efficacious and safe target for the treatment of AF. In this paper, we designed and synthesized three series of compounds through modifying the lead compound RH01617 that was screened out by the pharmacophore model we reported earlier. All of the compounds were evaluated by the whole-patch lamp technology and most of them possessed potent inhibitory activities against Kv1.5. Compounds IIIi and IIIl were evaluated for the target selectivity as well as the pharmacodynamic effects in an isolated rat model. Due to the promising pharmacological behavior, compound IIIl deserves further pharmacodynamic and pharmacokinetic evaluations. (C) 2013 Elsevier Ltd. All rights reserved.