Rotenol | 3276-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: Rotenol
• 英文别名: ((Ξ)-6,7-dimethoxy-chroman-4-yl)-((R)-4-hydroxy-2-isopropenyl-2,3-dihydro-benzofuran-5-yl)-ketone；((Ξ)-6,7-Dimethoxy-chroman-4-yl)-((R)-4-hydroxy-2-isopropenyl-2,3-dihydro-benzofuran-5-yl)-keton；(6,7-dimethoxy-3,4-dihydro-2H-chromen-4-yl)-[(2R)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-yl]methanone
• CAS: 3276-12-8
• 化学式: C₂₃H₂₄O₆
• 分子量: 396.44
• InChiKey: PNGWMVLNWUQYJN-PQJIZZRHSA-N

物化性质

• 熔点：
  115-120 °C
• 沸点：
  542.2±50.0 °C(Predicted)
• 密度：
  1.252±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Rotenol 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-hydroxy-2-isopropyl-benzofuran-5-carboxylic acid
  参考文献：
  名称：

  ROTENONE. IX. ALKALI FUSION OF SOME DERIVATIVES OF ROTENONE

  摘要：

  DOI：

  10.1021/ja01374a048
• 作为产物：
  描述：

  (2S,3'S,7R)-3'-amino-6',7'-dimethoxy-7-(prop-1-en-2-yl)-7,8-dihydro-3H-spiro[benzo[1,2-b:3,4-b']difuran-2,4'-chroman]-3-one 在 氢氧化钾 、 锌 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 Rotenol
  参考文献：
  名称：

  Kostova, Ivanka, Liebigs Annalen der Chemie, 1988, p. 195 - 198

  摘要：

  DOI：

文献信息

• Rotanone Analogs: Method of Preparation and Use
  申请人：VanBrocklin Henry F.

  公开号：US20090136424A1

  公开（公告）日：2009-05-28

  The present invention provides rotenone analogs and methods of making and using them. Labeled with single photon and positron emitting isotopes, the rotenone analogs of the present invention are useful in, for example, clinical imaging applications as tracers to measure cardiac blood flow and detect regions of ischemia.

  本发明提供了罗滕酮类似物及其制备和使用方法。本发明的罗滕酮类似物标记有单光子和正电子发射同位素，在临床成像应用中可用作示踪剂，用于测量心脏血流并检测缺血区域。
• Rotanone analogs: method of preparation and use
  申请人：VanBrocklin Henry F.

  公开号：US08551448B2

  公开（公告）日：2013-10-08

  The present invention provides rotenone analogs and methods of making and using them. Labeled with single photon and positron emitting isotopes, the rotenone analogs of the present invention are useful in, for example, clinical imaging applications as tracers to measure cardiac blood flow and detect regions of ischemia.

  本发明提供了芦丁酮类似物及其制备和使用方法。本发明的芦丁酮类似物标记有单光子和正电子发射同位素，例如在临床成像应用中作为示踪剂，用于测量心脏血流和检测缺血区域。
• Topical compositions and methods for treating inflammatory skin diseases
  申请人：Azora Therapeutics, Inc.

  公开号：US11154533B2

  公开（公告）日：2021-10-26

  Compositions and methods for treating skin conditions, ailments or diseases, such as autoinflammatory skin diseases such as psoriasis, dermatitis, pyoderma gangrenosum, palmoplantar pustulosis, prurigo nodularis and/or hidradenitis suppurativa, are described. The compositions comprise an agent that modulates the aryl hydrocarbon receptor, in particular an agent that agonizes the receptor. In one embodiment, the agent is indigo or a derivative of indigo, such as indirubin.

  本文描述了用于治疗皮肤状况、病痛或疾病的组合物和方法，例如牛皮癣、皮炎、脓疱疮、掌跖脓疱病、结节性瘙痒症和/或化脓疱性皮炎等自身炎症性皮肤病。这些组合物包括一种调节芳基烃受体的制剂，特别是一种激动受体的制剂。在一个实施方案中，药剂是靛蓝或靛蓝的衍生物，如靛蓝素。
• ROTENONE. XII. SOME NEW DERIVATIVES OF ROTENOL
  作者：H. L. Haller、F. B. LaForge

  DOI：10.1021/ja01357a033

  日期：1931.6
• TOPICAL COMPOSITIONS AND METHODS FOR TREATING INFLAMMATORY SKIN DISEASES
  申请人：Azora Therapeutics, Inc.

  公开号：US20210186931A1

  公开（公告）日：2021-06-24

  Compositions and methods for treating skin conditions, ailments or diseases, such as autoinflammatory skin diseases such as psoriasis, dermatitis, pyoderma gangrenosum, palmoplantar pustulosis, prurigo nodularis and/or hidradenitis suppurativa, are described. The compositions comprise an agent that modulates the aryl hydrocarbon receptor, in particular an agent that agonizes the receptor. In one embodiment, the agent is indigo or a derivative of indigo, such as indirubin.