4,5-二羟基-7-甲氧基-9,10-二氧代-9,10-二氢-2-蒽羧酸 | 17636-18-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 中文名称: 4,5-二羟基-7-甲氧基-9,10-二氧代-9,10-二氢-2-蒽羧酸
• 英文名称: parietinic acid
• 英文别名: Parietin-Saeure；4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carboxylic acid
• CAS: 17636-18-9
• 化学式: C₁₆H₁₀O₇
• 分子量: 314.251
• InChiKey: HEULMVKOOVHXME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  7

安全信息

• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  4,5-二羟基-7-甲氧基-9,10-二氧代-9,10-二氢-2-蒽羧酸 在 吡啶 、 氯化亚砜 、 alkaline sodium hypochlorite 、 硫酸 、 氨 作用下， 生成 1,8-dihydroxy-3-methoxyanthracene-9,10-dione
  参考文献：
  名称：

  Eder; Hauser, Helvetica Chimica Acta, 1925, vol. 8, p. 143

  摘要：

  DOI：
• 作为产物：
  描述：

  physcion diacetate 在 chromium(VI) oxide 、 sodium hydroxide 、 乙酸酐 、 溶剂黄146 作用下， 生成 4,5-二羟基-7-甲氧基-9,10-二氧代-9,10-二氢-2-蒽羧酸
  参考文献：
  名称：

  Eder; Hauser, Helvetica Chimica Acta, 1925, vol. 8, p. 143

  摘要：

  DOI：

文献信息

• Preparation of functionalized juglone acetates and juglones via 1,4-dimethoxynaphthalene derivatives: synthesis of anthraquinones related to rhein and aloe-emodin
  作者：James L. Bloomer、Kenneth W. Stagliano、Joseph A. Gazzillo

  DOI：10.1021/jo00079a042

  日期：1993.12
• An Efficient Route to Emodic Amine and Analogous O-Methyl Protected Derivatives Starting from Emodin
  作者：Bernd Lackner、Klaus Bretterbauer、Heinz Falk

  DOI：10.1007/s00706-005-0350-7

  日期：2005.9

  Emodic amine could be synthesized in a five-step approach in excellent overall yield by following a modified Curtius rearrangement strategy, starting from the naturally occurring emodin. This unique emodin derived 6-amino substituted polyhydroxylated anthraquinone may serve as a promising synthon for a new class of amino functionalized photodynamically active hypericin derivatives. In addition, the partially O-methyl protected 6-amino- and 6-carboxy-anthraquinones could be synthesized in high yields via selective O-methyl ether cleavage from the corresponding tri-O-methyl derivatives.
• METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER
  申请人：Haggerty Timothy J.

  公开号：US20140335050A1

  公开（公告）日：2014-11-13

  The invention features methods, compositions, and kits for the administration of an HSP90 inhibitor, OBAA, flunarizine, aphidicolin, damnacanthal, dantrolene, or an analog thereof, alone, or in combination with, e.g., a TAA, an antigen-binding scaffold (e.g., an antibody, a soluble T cell receptor, or a chimeric receptor) specific for a TAA, a cell (e.g., a white blood cell that targets a cancer cell), and/or an IFN-β receptor agonist or an IFN-γ receptor agonist, for the treatment of cancer.
• Eder; Hauser, Helvetica Chimica Acta, 1925, vol. 8, p. 143
  作者：Eder、Hauser

  DOI：——

  日期：——