2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]-N,N,N-trimethyl-ethanaminium iodide | 121038-76-4

• 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-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]-N,N,N-trimethyl-ethanaminium iodide
• 英文别名: 2-[[2-[l-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]-N,N,N-trimethyl-ethanaminium iodide；2-[2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyethyl-trimethylazanium;iodide
• CAS: 121038-76-4
• 化学式: C₂₄H₂₈ClN₂O₄*I
• 分子量: 570.855
• InChiKey: VUUQBMSXBLHTOD-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  57.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-(4-Chlorbenzoyl)-5-methoxy-2-methyl-3-indolylessigsaeure-(2-dimethylamino)ethylester 、 碘甲烷 以47%的产率得到2-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl]oxy]-N,N,N-trimethyl-ethanaminium iodide
  参考文献：
  名称：

  [EN] UNIQUE DUAL-ACTION THERAPEUTICS
  [FR] NOUVEAUX PRODUITS THÉRAPEUTIQUES À DOUBLE ACTION

  摘要：

  本文披露了一种新的治疗药物家族，为非甾体抗炎药物提供了一个控制释放途径，其基于酯或酯-碳酸酯骨架。这些药物是乙酰胆碱酯酶的可逆抑制剂，因此对于受益于抗炎和胆碱干预的临床病况是有用的。这些化合物的一般公式如下，其中n = 0, 1；X = C、Si 和 N+；NSAID = 布洛芬、萘普生、消炎宁和双氯芬酸。其他实施方式也被披露。

  公开号：

  WO2010051044A1

文献信息

• Unique Dual-Action Therapeutics
  申请人：Laskin Jeffrey

  公开号：US20120010168A1

  公开（公告）日：2012-01-12

  A new family of therapeutics which provides a controlled-release delivery platform for non-steroidal anti-inflammatory agents on an ester or an ester-carbonate backbone is disclosed herein. These agents are reversible inhibitors of acetylcholinesterase and are thus useful for clinical conditions benefiting from inflammation suppression and cholinergic intervention. These compounds are of the general formula wherein n=0, 1; X═C, Si, and N+ and NSAID=ibuprofen, naproxen, indomethacin and diclofenac. Other embodiments are also disclosed.

  本文披露了一种新的治疗药物家族，它提供了一种酯或酯-碳酸骨架的非甾体抗炎药控释输送平台。这些药剂是乙酰胆碱酯酶可逆抑制剂，因此对于受益于炎症抑制和胆碱能干预的临床状况是有用的。这些化合物的一般式为n=0, 1；X=C、Si和N+，NSAID=布洛芬、萘普生、消炎痛和双氯芬酸。还披露了其他实施方式。
• Unique dual-action therapeutics
  申请人：Rutgers, The State University of New Jersey

  公开号：US10570161B2

  公开（公告）日：2020-02-25

  A new family of therapeutics which provides a controlled-release delivery platform for non-steroidal anti-inflammatory agents on an ester or an ester-carbonate backbone is disclosed herein. These agents are reversible inhibitors of acetylcholinesterase and are thus useful for clinical conditions benefiting from inflammation suppression and cholinergic intervention. These compounds are of the general formula wherein n=0, 1; X=C, Si, and N+ and NSAID=ibuprofen, naproxen, indomethacin and diclofenac. Other embodiments are also disclosed.

  本文公开了一系列新的治疗药物，它们为酯或酯-碳酸酯骨架上的非甾体抗炎药物提供了控释递送平台。这些制剂是乙酰胆碱酯酶的可逆性抑制剂，因此可用于抑制炎症和胆碱能干预的临床病症。这些化合物为通式，其中 n=0、1；X=C、Si 和 N+，NSAID=布洛芬、萘普生、吲哚美辛和双氯芬酸。还公开了其他实施方案。
• UNIQUE DUAL-ACTION THERAPEUTICS
  申请人：Rutgers, The State University of New Jersey

  公开号：US20170143836A1

  公开（公告）日：2017-05-25

  A new family of therapeutics which provides a controlled-release delivery platform for non-steroidal anti-inflammatory agents on an ester or an ester-carbonate backbone is disclosed herein. These agents are reversible inhibitors of acetylcholinesterase and are thus useful for clinical conditions benefiting from inflammation suppression and cholinergic intervention. These compounds are of the general formula wherein n=0, 1; X═C, Si, and N+ and NSAID=ibuprofen, naproxen, indomethacin and diclofenac. Other embodiments are also disclosed.
• [EN] UNIQUE DUAL-ACTION THERAPEUTICS<br/>[FR] NOUVEAUX PRODUITS THÉRAPEUTIQUES À DOUBLE ACTION
  申请人：LASKIN JEFFREY

  公开号：WO2010051044A1

  公开（公告）日：2010-05-06

  A new family of therapeutics which provides a controlled-release delivery platform for non-steroidal anti-inflammatory agents on an ester or an ester-carbonate backbone is disclosed herein. These agents are reversible inhibitors of acetylcholinesterase and are thus useful for clinical conditions benefiting from inflammation suppression and cholinergic intervention. These compounds are of the general formula wherein n = 0, 1; X = C, Si, and N+ and NSAID = ibuprofen, naproxen, indomethacin and diclofenac. Other embodiments are also disclosed.

  本文披露了一种新的治疗药物家族，为非甾体抗炎药物提供了一个控制释放途径，其基于酯或酯-碳酸酯骨架。这些药物是乙酰胆碱酯酶的可逆抑制剂，因此对于受益于抗炎和胆碱干预的临床病况是有用的。这些化合物的一般公式如下，其中n = 0, 1；X = C、Si 和 N+；NSAID = 布洛芬、萘普生、消炎宁和双氯芬酸。其他实施方式也被披露。