1-(2-ethoxycarbonyl-quinolin-3-yl)-pyridinium | 763028-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-(2-ethoxycarbonyl-quinolin-3-yl)-pyridinium
• 英文别名: 3-Pyridinochinolin-2-carbonsaeureethylester；Ethyl 3-pyridin-1-ium-1-ylquinoline-2-carboxylate
• CAS: 763028-48-4
• 化学式: C₁₇H₁₅N₂O₂
• 分子量: 279.318
• InChiKey: RKOFMPUUHCZKCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(2-ethoxycarbonyl-quinolin-3-yl)-pyridinium 在 四氢吡咯 作用下， 以 乙醇 为溶剂， 反应 1.0h， 以83%的产率得到(3-氨基喹啉-2-基)乙基碳酸酯
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship studies of new phenolic DNA gyrase inhibitors

  摘要：

  Starting from a biased needle screening hit 3a, we report herein the design and synthesis of a series of novel 2,3-dihydroisoindol-l-ones structurally related to cyclothialidine 2 with DNA gyrase inhibitory activity. In this series, some compounds exhibited promising antibacterial activity against Gram-positive bacterial strains.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.065
• 作为产物：
  描述：

  1-(2-ethoxycarbonyl-2-oxo-ethyl)-pyridinium 、 2-氨基苯甲醛 在 吡啶 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以60%的产率得到1-(2-ethoxycarbonyl-quinolin-3-yl)-pyridinium
  参考文献：
  名称：

  Design, synthesis, and structure–activity relationship studies of new phenolic DNA gyrase inhibitors

  摘要：

  Starting from a biased needle screening hit 3a, we report herein the design and synthesis of a series of novel 2,3-dihydroisoindol-l-ones structurally related to cyclothialidine 2 with DNA gyrase inhibitory activity. In this series, some compounds exhibited promising antibacterial activity against Gram-positive bacterial strains.(c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.065

文献信息

• ALDEHYDE CONJUGATES AND USES THEREOF
  申请人：Aldeyra Therapeutics, Inc.

  公开号：US20200246345A1

  公开（公告）日：2020-08-06

  The present invention provides compounds and methods of use thereof for the treatment, prevention, and/or reduction of a risk of a disease, disorder, or condition in which aldehyde toxicity is implicated in the pathogenesis, including ocular disorders, skin disorders, conditions associated with injurious effects from blister agents, and autoimmune, inflammatory, neurological and cardiovascular diseases by the use of a primary amine to scavenge toxic aldehydes, such as MDA and HNE.

  本发明提供了化合物及其使用方法，用于治疗、预防和/或减少由醛毒性引起病理发生的疾病、紊乱或状况的风险，包括眼部疾病、皮肤疾病、与水泡剂引起的有害效应相关的状况，以及自身免疫、炎症、神经和心血管疾病，通过使用一种主要胺来清除有毒醛类化合物，如MDA和HNE。
• Design, synthesis, and structure–activity relationship studies of new phenolic DNA gyrase inhibitors
  作者：Thomas Lübbers、Peter Angehrn、Hans Gmünder、Silvia Herzig

  DOI：10.1016/j.bmcl.2006.12.065

  日期：2007.8

  Starting from a biased needle screening hit 3a, we report herein the design and synthesis of a series of novel 2,3-dihydroisoindol-l-ones structurally related to cyclothialidine 2 with DNA gyrase inhibitory activity. In this series, some compounds exhibited promising antibacterial activity against Gram-positive bacterial strains.(c) 2007 Elsevier Ltd. All rights reserved.