3-(2-氯苯氧基)氮杂丁烷 | 954222-94-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 3-(2-氯苯氧基)氮杂丁烷
• 中文别名: 3-(2-氯苯氧基)氮杂环丁烷
• 英文名称: 3-(2-chlorophenoxy)azetidine
• CAS: 954222-94-7
• 化学式: C₉H₁₀ClNO
• mdl: MFCD09861863
• 分子量: 183.637
• InChiKey: UMBZIGKRABBMFL-UHFFFAOYSA-N

物化性质

• 沸点：
  275℃
• 密度：
  1.236
• 闪点：
  120℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride 、 3-(2-氯苯氧基)氮杂丁烷 生成
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071

文献信息

• 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.
• 7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization
  作者：Paul V. Fish、Alan D. Brown、Edel Evrard、Lee R. Roberts

  DOI：10.1016/j.bmcl.2009.02.071

  日期：2009.4

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.