3-hydroxy-6-hydroxymethyl-2ξ-propenyl-pyran-4-one | 90536-62-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 3-hydroxy-6-hydroxymethyl-2ξ-propenyl-pyran-4-one
• 英文别名: 3-Hydroxy-6-hydroxymethyl-2ξ-propenyl-pyran-4-on；3-hydroxy-6-(hydroxymethyl)-2-(propen-1-yl)-4H-pyran-4-one；3-hydroxy-6-(hydroxymethyl)-2-prop-1-enylpyran-4-one
• CAS: 90536-62-2
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: MKLIFIVLVIFYIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-hydroxy-6-hydroxymethyl-2ξ-propenyl-pyran-4-one 在 palladium on activated charcoal 、 乙醇 作用下， 生成 3-hydroxy-6-hydroxymethyl-2-propyl-pyran-4-one
  参考文献：
  名称：

  The Preparation and Rearrangement of Allyl Kojate

  摘要：

  DOI：

  10.1021/ja01593a046
• 作为产物：
  描述：

  曲酸 在 盐酸 、 甲醇 、 乙醇 作用下， 60.0 ℃ 、133.32 Pa 条件下， 生成 3-hydroxy-6-hydroxymethyl-2ξ-propenyl-pyran-4-one
  参考文献：
  名称：

  Derivatives of Kojic Acid

  摘要：

  DOI：

  10.1021/ja01175a060

文献信息

• Compounds and methods of treating cell proliferative diseases
  申请人：Leblanc Veronique

  公开号：US20050054629A1

  公开（公告）日：2005-03-10

  The present invention relates to compounds and their uses, particularly in the pharmaceutical industry. The invention discloses compounds having anti-proliferative activities, as well as methods for treating various diseases associated with abnormal cell proliferation, including cancer, by administering said compounds. It further deals with pharmaceutical compositions comprising said compounds, more particularly useful to treat cancers.

  本发明涉及化合物及其用途，尤其是在制药业中的应用。本发明揭示了具有抗增殖活性的化合物，以及通过给予这些化合物来治疗与异常细胞增殖相关的各种疾病的方法，包括癌症。它进一步涉及包含这些化合物的制药组合物，更具体地用于治疗癌症。
• Hurd; Sims, Journal of the American Chemical Society, 1949, vol. 71, p. 2040,2042
  作者：Hurd、Sims

  DOI：——

  日期：——
• COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES
  申请人：Exonhit Therapeutics S.A.

  公开号：EP1480966A1

  公开（公告）日：2004-12-01
• [EN] COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES<br/>[FR] COMPOSES ET PROCEDES APPLICABLES AU TRAITEMENT D'AFFECTIONS A PROLIFERATION CELLULAIRE
  申请人：EXONHIT THERAPEUTICS SA

  公开号：WO2003074508A1

  公开（公告）日：2003-09-12

  The present invention relates to compounds and their uses, particularly in the pharmaceutical industry. The invention discloses compounds having anti-proliferative activities, as well as methods for treating various diseases associated with abnormal cell proliferation, including cancer, by administering said compounds. It further deals with pharmaceutical compositions comprising said compounds, more particularly useful to treat cancers.
• Derivatives of Kojic Acid
  作者：Charles D. Hurd、Rex J. Sims

  DOI：10.1021/ja01175a060

  日期：1949.7