E3330抑制剂 | 136164-66-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 中文名称: E3330抑制剂
• 英文名称: E 3330
• 英文别名: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]-undecanoic acid；APX3330；(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
• CAS: 136164-66-4
• 化学式: C₂₁H₃₀O₆
• 分子量: 378.466
• InChiKey: AALSSIXXBDPENJ-FYWRMAATSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  27
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  89.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  E3330抑制剂 在 calcium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以89.06 %的产率得到(2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene]undecanoic acid calcium salt
  参考文献：
  名称：

  US20240101505A1

  摘要：

  公开号：
• 作为产物：
  描述：

  (E)-3-(6-methyl-2,3,4,5-tetramethoxyphenyl)-2-nonylpropenoic acid 在 硝酸 、 溶剂黄146 作用下， 以 乙酸乙酯 为溶剂， 反应 4.0h， 以42%的产率得到E3330抑制剂
  参考文献：
  名称：

  Design and Synthesis of Novel Quinone Inhibitors Targeted to the Redox Function of Apurinic/Apyrimidinic Endonuclease 1/Redox Enhancing Factor-1 (Ape1/Ref-1)

  摘要：

  The multifunctional enzyme apurinic endonuclease 1/redox enhancing factor 1 (Apel/ref-1) maintains genetic fidelity through the repair of apurinic sites and regulates transcription through redox-dependent activation of transcription factors. Apel can therefore serve as a therapeutic target in either a DNA repair or transcriptional context. Inhibitors of the redox function can be used as either therapeutics or novel tools for separating the two functions for in vitro study. Presently there exist only a few compounds that have been reported to inhibit Apel redox activity; here we describe a series of quinones that exhibit micromolar inhibition of the redox function of Apel. Benzoquinone and naphthoquinone analogues of the Apel-inhibitor E3330 were designed and synthesized to explore structural effects on redox function and inhibition of cell growth. Most of the naphthoquinones were low micromolar inhibitors of Apel redox activity, and the most potent analogues inhibited tumor cell growth with IC50 values in the 10-20 mu M range.

  DOI：

  10.1021/jm9014857

文献信息

• Quinone derivatives and pharmacological use
  申请人：Eisai Co., Ltd.

  公开号：US05385942A1

  公开（公告）日：1995-01-31

  A quinone derivative useful in the treatment of hepatic diseases defined by the general formula: ##STR1## where X and Y may be the same or different from each other and are each a hydroxyl group, a group represented by the formula --(--OCH.sub.2 --).sub.n --OR.sup.6, wherein n is 0 or 1 and R.sup.6 is a lower alkyl group, or an acyl group.

  一种喹酮衍生物，可用于治疗由以下一般式定义的肝病： ##STR1## 其中X和Y可以相同或不同，并且均为羟基，由公式--(--OCH.sub.2 --).sub.n --OR.sup.6表示的基团，其中n为0或1，R.sup.6为较低的烷基或酰基。
• Quinone derivatives, pharmaceutical compositions, and uses thereof
  申请人：Kelley Mark R.

  公开号：US09089605B2

  公开（公告）日：2015-07-28

  This application describes quinone derivatives which target the redox site of Ape1/Ref1. Also included in the invention are pharmaceutical formulations containing the derivatives and therapeutic uses of the derivatives.

  本申请描述了靶向Ape1/Ref1的氧化还原位点的醌衍生物。本发明还包括含有该衍生物的药物配方和该衍生物的治疗用途。
• QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF
  申请人：Kelley Mark R.

  公开号：US20100297113A1

  公开（公告）日：2010-11-25

  This application describes quinone derivatives which target the redox site of Ape1/Ref1. Also included in the invention are pharmaceutical formulations containing the derivatives and therapeutic uses of the derivatives.

  这个应用描述了目标为Ape1/Ref1的氧化还原位点的醌衍生物。发明还包括含有这些衍生物的药物制剂和这些衍生物的治疗用途。
• Compounds, compositions and methods for treating oxidative DNA damage disorders
  申请人：Indiana University Research and Technology Corporation

  公开号：US11160770B2

  公开（公告）日：2021-11-02

  Compounds, compositions, and formulations, and accompanying methods useful for treating disorders arising from oxidative DNA damage, including oxidative DNA damage resulting from ionizing radiation or other therapy are described herein.

  本文描述了用于治疗氧化 DNA 损伤引起的疾病（包括电离辐射或其他疗法导致的氧化 DNA 损伤）的化合物、组合物和制剂，以及相应的方法。
• Cancer therapy
  申请人：Aslan Pharmaceuticals Pte. Ltd.

  公开号：US11311548B2

  公开（公告）日：2022-04-26

  A method of treating haematological cancer with a therapy comprising a DHODH inhibitor. Also provided is a combination therapy comprising a pan-HER inhibitor and a DHODH inhibitor for treating a haematological cancer.

  一种用包含 DHODH 抑制剂的疗法治疗血液肿瘤的方法。还提供了一种由泛 HER 抑制剂和 DHODH 抑制剂组成的联合疗法，用于治疗血液肿瘤。