tert-butyl 3-(bromomethyene)azetidine-1-carboxylate | 1197419-21-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: tert-butyl 3-(bromomethyene)azetidine-1-carboxylate
• 英文别名: tert-Butyl 3-(bromomethylene)azetidine-1-carboxylate；tert-butyl 3-(bromomethylidene)azetidine-1-carboxylate
• CAS: 1197419-21-8
• 化学式: C₉H₁₄BrNO₂
• 分子量: 248.12
• InChiKey: JDTNGSPSWISNON-UHFFFAOYSA-N

物化性质

• 沸点：
  280.7±33.0 °C(Predicted)
• 密度：
  1.521±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(bromomethyene)azetidine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 3-(bromomethylene)azetidine
  参考文献：
  名称：

  [EN] Cyclic Ureas
  [FR] URÉES CYCLIQUES

  摘要：

  抑制细胞坏死和/或人类受体相互作用蛋白1激酶（RIP1）的酰胺，包括相应的磺胺酰胺和药用盐、水合物和立体异构体。这些化合物用于制备药物组合物，以及制备和使用方法，包括以有效量的化合物或组合物治疗需要的人，并检测人的健康或状况的改善。

  公开号：

  WO2020103884A1

文献信息

• Structure based design of novel irreversible FAAH inhibitors
  作者：Jane L. Wang、Scott J. Bowen、Barbara A. Schweitzer、Heather M. Madsen、Joseph McDonald、Matthew J. Pelc、Ruth E. Tenbrink、David Beidler、Atli Thorarensen

  DOI：10.1016/j.bmcl.2009.07.101

  日期：2009.10

  Fatty acid amide hydrolase ( FAAH) has attracted significant attention due to its promise as an analgesic target. This has resulted in the discovery of numerous chemical classes as inhibitors of this potential therapeutic target. In this paper we disclose a new series of novel FAAH irreversible azetidine urea inhibitors. In general these compounds illustrate potent activity against the rat FAAH enzyme. Our SAR studies allowed us to optimize this series resulting in the identification of compounds 13 which were potent inhibitors of both human and rat enzyme. This series of compounds illustrated good hydrolase selectivity along with good PK properties. (C) 2009 Elsevier Ltd. All rights reserved.
• Cyclic Ureas
  申请人：SIRONAX LTD

  公开号：US20210292305A1

  公开（公告）日：2021-09-23

  The invention provides amides that inhibit cellular necrosis and/or human receptor interacting protein 1 kinase (RIP1), including corresponding sulfonamides, and pharmaceutically acceptable salts, hydrates and stereoisomers thereof. The compounds are employed in pharmaceutical compositions, and methods of making and use, including treating a person in need thereof with an effective amount of the compound or composition, and detecting a resultant improvement in the person's health or condition.