3-(2-氟苯氧基)氮杂丁烷 | 918831-13-7

• 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-氟苯氧基)氮杂丁烷
• 中文别名: 3-(2-氟苯氧基)氮杂环丁烷
• 英文名称: 3-(2-fluoro-phenoxy)-azetidine
• 英文别名: 3-(2-Fluorophenoxy)azetidine
• CAS: 918831-13-7
• 化学式: C₉H₁₀FNO
• 分子量: 167.183
• InChiKey: BJPFEMLBDNVRDZ-UHFFFAOYSA-N

物化性质

• 沸点：
  251℃
• 密度：
  1.188
• 闪点：
  105℃

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  3

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-氟苯氧基)氮杂丁烷 、 10-chloro-5,6,8,9-tetrahydro-1,4,7,10a-tetraaza-cyclohepta[f]indene-7-carboxylic acid tert-butyl ester 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT2C agonists for the treatment of metabolic disorders

  摘要：

  The discovery of a novel series of 5-HT2C agonists based on a tricyclic pyrazolopyrimidine scaffold is described. Compounds with good levels of in vitro potency and moderate to good levels of selectivity with respect to the 5-HT2A and 5-HT2B receptors were identified. One of the analogues (7g) was found to be efficacious in a sub-chronic weight loss model. A key limitation of the series of compounds was that they were found to be potent inhibitors of the hERG ion channel. Some compounds, bearing polar side chains were identified which showed a much reduced hERG liability however these compounds were sub-optimal in terms of their in vitro potency or selectivity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.089
• 作为产物：
  描述：

  1-(二苯基甲基)-3-(2-氟苯氧基)氮杂环丁烷 在 palladium dihydroxide 氢气 作用下， 反应 2.0h， 生成 3-(2-氟苯氧基)氮杂丁烷
  参考文献：
  名称：

  [EN] ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS
  [FR] DÉRIVÉS D'ACÉTYLÈNE COMME INHIBITEURS DE LA STÉAROYL COA DÉSATURASE

  摘要：

  公开号：

  WO2008062276A3

文献信息

• Discovery and Metabolic Stabilization of Potent and Selective 2-Amino-<i>N</i>-(adamant-2-yl) Acetamide 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors
  作者：Jeffrey J. Rohde、Marina A. Pliushchev、Bryan K. Sorensen、Dariusz Wodka、Qi Shuai、Jiahong Wang、Steven Fung、Katina M. Monzon、William J. Chiou、Liping Pan、Xiaoqing Deng、Linda E. Chovan、Atul Ramaiya、Mark Mullally、Rodger F. Henry、DeAnne F. Stolarik、Hovis M. Imade、Kennan C. Marsh、David W. A. Beno、Thomas A. Fey、Brian A. Droz、Michael E. Brune、Heidi S. Camp、Hing L. Sham、Ernst Uli Frevert、Peer B. Jacobson、J. T. Link

  DOI：10.1021/jm0609364

  日期：2007.1.1

  11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) inhibitor 22a, a series of E-5-hydroxy-2-adamantamine inhibitors, exemplified by 22d and (+/-)-22f, was discovered. Many of these compounds are potent inhibitors of 11beta-HSD1 and are selective over 11beta-HSD2 for multiple species (human, mouse, and rat), unlike other reported species-selective series. These compounds have good cellular potency

  从快速代谢的1型金刚烷11β-羟基类固醇脱氢酶（11beta-HSD1）抑制剂22a开始，发现了一系列E-5-羟基-2-金刚烷胺抑制剂，例如22d和（+/-）-22f。与其他报道的物种选择性系列不同，这些化合物中的许多都是11beta-HSD1的有效抑制剂，对多种物种（人，小鼠和大鼠）的选择性都超过11beta-HSD2。这些化合物具有良好的细胞效力和改善的微粒体稳定性。在啮齿动物中的药代动力学分析表明，在22d的大鼠中测得的最大暴露量为中等至大量分布，半衰期短和药代动力学物种差异。给药后一小时，在小鼠离体测定中用（+/-）-22f证实了11beta-HSD1对肝脏，脂肪和脑组织的抑制作用。虽然5 7-二取代-2-金刚烷胺提供了更高的稳定性，一个单一的E-5位极性官能团为抑制剂提供了稳定性，效价和选择性的最佳组合。这些结果表明，已发现足以获得短效，有效和选择性11beta-HSD1抑制剂的金刚烷代谢稳定作用。
• ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS
  申请人：Thomas Abraham

  公开号：US20080182851A1

  公开（公告）日：2008-07-31

  The present invention provides Stearoyl CoA Desaturase (SCD) inhibitors. In particular, compounds described herein are useful for treating or preventing diseases, conditions and/or disorders modulated by Stearoyl CoA Desaturase 1 (SCD1) inhibitors. Also provided herein are processes for preparing compounds described herein, intermediates used in their synthesis, pharmaceutical compositions thereof, and methods for treating or preventing diseases, conditions and/or disorders modulated by Stearoyl CoA Desaturase (SCD) inhibitors.

  本发明提供了硬脂酰辅酶A脱饱和酶（SCD）抑制剂。特别地，本文描述的化合物对于治疗或预防由硬脂酰辅酶A脱饱和酶1（SCD1）抑制剂调节的疾病、症状和/或疾病具有用处。本文还提供了制备上述化合物的过程、用于其合成的中间体、其制药组合物以及治疗或预防由硬脂酰辅酶A脱饱和酶（SCD）抑制剂调节的疾病、症状和/或疾病的方法。
• 6-Benzyl-6H-thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-one derivatives as phosphodiesterase-1 (PDE-1) inhibitors for the treatment of e.g. neurological, cognitive and cardiovascular disorders
  申请人：Dart NeuroScience (Cayman) Ltd.

  公开号：EP2861605B1

  公开（公告）日：2017-05-03
• 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.