ethyl chloro((ethoxycarbonyl)oxy)carbamate | 1310365-94-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: ethyl chloro((ethoxycarbonyl)oxy)carbamate
• 英文别名: [Chloro(ethoxycarbonyl)amino] ethyl carbonate
• CAS: 1310365-94-6
• 化学式: C₆H₁₀ClNO₅
• 分子量: 211.602
• InChiKey: SIIMQJUDVIGSIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  65.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N,O-bis-ethoxycarbonylhydroxylamine 在 三氯异氰尿酸 作用下， 以 二氯甲烷 为溶剂， 生成 ethyl chloro((ethoxycarbonyl)oxy)carbamate
  参考文献：
  名称：

  Optimization of HNO Production from N,O-bis-Acylated Hydroxylamine Derivatives

  摘要：

  A wide range of N,O-bis-acylated hydroxylamine derivatives with chloro or arenesulfonyl leaving groups, and a related set of N-hydroxy-N-acylsulfonamides, have been synthesized and evaluated for nitroxyl (HNO) production. Mechanistic studies have revealed that the observed aqueous chemistry is more complicated than originally anticipated, and have been used to develop a new series of efficient HNO precursors (4u-4x, 7c-7d) with tunable half-lives.

  DOI：

  10.1021/ol203016c

文献信息

• Bis-Acylated Hydroxylamine Derivatives
  申请人：Toscano John P.

  公开号：US20110136827A1

  公开（公告）日：2011-06-09

  The invention provides certain bis-acylated hydroxylamine derivative compounds, pharmaceutical compositions and kits comprising such compounds, and methods of using such compounds or pharmaceutical compositions. In particular, the invention provides methods of using such compounds or pharmaceutical compositions for treating, preventing, or delaying the onset and/or develop of a disease or condition. In some embodiments, the disease or condition is selected from cardiovascular diseases, ischemia, reperfusion injury, cancerous disease, pulmonary hypertension and conditions responsive to nitroxyl therapy.

  这项发明提供了某些双酰化羟胺衍生物化合物，包括这些化合物的药物组合物和试剂盒，以及使用这些化合物或药物组合物的方法。具体而言，该发明提供了使用这些化合物或药物组合物治疗、预防或延缓疾病或病况发生和/或发展的方法。在某些实施例中，疾病或病况可选自心血管疾病、缺血、再灌注损伤、癌症疾病、肺动脉高压和对亚硝酰治疗有反应的病况。
• US9018411B2
  申请人：——

  公开号：US9018411B2

  公开（公告）日：2015-04-28
• US9458127B2
  申请人：——

  公开号：US9458127B2

  公开（公告）日：2016-10-04
• Optimization of HNO Production from <i>N</i>,<i>O</i>-<i>bis</i>-Acylated Hydroxylamine Derivatives
  作者：Art D. Sutton、Morgan Williamson、Hilary Weismiller、John P. Toscano

  DOI：10.1021/ol203016c

  日期：2012.1.20

  A wide range of N,O-bis-acylated hydroxylamine derivatives with chloro or arenesulfonyl leaving groups, and a related set of N-hydroxy-N-acylsulfonamides, have been synthesized and evaluated for nitroxyl (HNO) production. Mechanistic studies have revealed that the observed aqueous chemistry is more complicated than originally anticipated, and have been used to develop a new series of efficient HNO precursors (4u-4x, 7c-7d) with tunable half-lives.