3-(3',4'-methylendioxyphenyl)-5,7-dimethoxy-4H-chromen-4-one | 22044-59-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 3-(3',4'-methylendioxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
• 英文别名: derrustone；3-benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chromen-4-one；3-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chromen-4-on；3-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-4H-chromen-4-one；5,7-Dimethoxy-3',4'-methylendioxy-isoflavon；3-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one
• CAS: 22044-59-3
• 化学式: C₁₈H₁₄O₆
• 分子量: 326.306
• InChiKey: IMPPSJRGMZYGJW-UHFFFAOYSA-N

物化性质

• 碰撞截面：
  169.8 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(3',4'-methylendioxyphenyl)-5,7-dimethoxy-4H-chromen-4-one 在 三氯化铝 、 硝基苯 作用下， 生成 3-(3,4-二羟基苯基)-5-羟基-7-甲氧基-4H-1-苯并吡喃-4-酮
  参考文献：
  名称：

  Iyer et al., Proceedings - Indian Academy of Sciences, Section A, 1951, # 33, p. 228,230

  摘要：

  DOI：
• 作为产物：
  描述：

  (E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(benzo[d] [1,3]dioxol-5-yl)prop-2-en-1-one 在 吡啶 、 thallium(III) p-tosylate 作用下， 以 甲醇 、 水 、 乙腈 为溶剂， 反应 14.0h， 生成 3-(3',4'-methylendioxyphenyl)-5,7-dimethoxy-4H-chromen-4-one
  参考文献：
  名称：

  Singh, Om V.; Muthukrishnan; Sunderavadivelu, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2005, vol. 44, # 12, p. 2575 - 2581

  摘要：

  DOI：

文献信息

• [EN] MULTITARGET HEDGEHOG PATHWAY INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS MULTICIBLES DE LA VOIE HEDGEHOG ET LEURS UTILISATIONS
  申请人：UNIV SIENA

  公开号：WO2014207069A1

  公开（公告）日：2014-12-31

  The present invention concerns compounds that selectively inhibit the activity of the Hedgehog (Hh) pathway, their preparation and uses thereof. The compounds of the present invention are useful in treating Hh-dependent tumors, such as medulloblastoma (MB).

  本发明涉及选择性抑制Hedgehog（Hh）通路活性的化合物，以及它们的制备和用途。本发明的化合物在治疗依赖于Hh的肿瘤，如髓母细胞瘤（MB）方面具有用途。
• Compounds for Enhancing Arginase Activity and Methods of USe Thereof
  申请人：Ratan Rajiv R.

  公开号：US20090253782A1

  公开（公告）日：2009-10-08

  The present invention relates to a method for enhancing arginase activity in a damaged or injured cell. In other aspects, the invention provides a method for treating a disorder that can be treated by enhancing arginase activity in a human in need thereof, the method comprising administering to the human an effective amount of a compound that enhances arginase activity. Such disorders include ischemia, hypoxia, neurodegenerative disease or condition, stroke or trauma of the nervous system. In yet another aspect, the invention provides methods for promoting regeneration of a neural cell in a human in need thereof.

  本发明涉及一种增强受损或受伤细胞中精氨酸酶活性的方法。在其他方面，本发明提供了一种治疗可以通过增强人体中精氨酸酶活性来治疗的疾病的方法，该方法包括向患者施用增强精氨酸酶活性的化合物的有效量。这些疾病包括缺血、低氧、神经退行性疾病或情况、中风或神经系统创伤。在另一个方面，本发明提供了促进人体中需要的神经细胞再生的方法。
• COMPOUNDS FOR ENHANCING ARGINASE ACTIVITY AND METHODS OF USING SAME
  申请人：Ratan Rajiv R.

  公开号：US20130245070A1

  公开（公告）日：2013-09-19

  The present invention relates to a method for enhancing arginase activity in a damaged or injured cell. In other aspects, the invention provides a method for treating a disorder that can be treated by enhancing arginase activity in a human in need thereof, the method comprising administering to the human an effective amount of a compound that enhances arginase activity. Such disorders include ischemia, hypoxia, neurodegenerative disease or condition, stroke or trauma of the nervous system. In yet another aspect, the invention provides methods for promoting regeneration of a neural cell in a human in need thereof.
• MULTITARGET HEDGEHOG PATHWAY INHIBITORS AND USES THEREOF
  申请人：UNIVERSITA' DEGLI STUDI DI SIENA

  公开号：US20160368886A1

  公开（公告）日：2016-12-22

  The present invention concerns compounds that selectively inhibit the activity of the Hedgehog (Hh) pathway, their preparation and uses thereof. The compounds of the present invention are useful in treating Hh-dependent tumors, such as medulloblastoma (MB).
• US9345694B2
  申请人：——

  公开号：US9345694B2

  公开（公告）日：2016-05-24

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