2-Chloro-3-[2-[2-[2-(3-chloro-1,4-dioxonaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]naphthalene-1,4-dione | 1032896-93-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Chloro-3-[2-[2-[2-(3-chloro-1,4-dioxonaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]naphthalene-1,4-dione
• CAS: 1032896-93-7
• 化学式: C₂₆H₂₀Cl₂O₈
• 分子量: 531.346
• InChiKey: ZCPSHBSJACGHND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  36
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  105
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2,3-二氯-1,4-萘醌 、 三乙二醇 在 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 18.0h， 以76%的产率得到2-Chloro-3-[2-[2-[2-(3-chloro-1,4-dioxonaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]naphthalene-1,4-dione
  参考文献：
  名称：

  Studies on quinones. Part 43: Synthesis and cytotoxic evaluation of polyoxyethylene-containing 1,4-naphthoquinones☆

  摘要：

  A series of naphthoquinones 2,3-disubstituted with chlorine and oxyethylene groups have been prepared from 2,3-dichloro- and 2,3-dimethoxy-1,4-naphthoquinone. The members of these series were tested on normal human. broblasts and on a panel of four human cancer cell lines. Antitumor activities, which were in the range of IC50 1.3-89.5 mu M, discussed in terms of LUMO energy, lipophilicity and size of the polyoxyethylene moiety. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.02.018

文献信息

• Studies on quinones. Part 43: Synthesis and cytotoxic evaluation of polyoxyethylene-containing 1,4-naphthoquinones☆
  作者：Jaime A. Valderrama、Hilda Leiva、Jaime A. Rodríguez、Cristina Theoduloz、Guillermo Schmeda-Hirshmann

  DOI：10.1016/j.bmc.2008.02.018

  日期：2008.4.1

  A series of naphthoquinones 2,3-disubstituted with chlorine and oxyethylene groups have been prepared from 2,3-dichloro- and 2,3-dimethoxy-1,4-naphthoquinone. The members of these series were tested on normal human. broblasts and on a panel of four human cancer cell lines. Antitumor activities, which were in the range of IC50 1.3-89.5 mu M, discussed in terms of LUMO energy, lipophilicity and size of the polyoxyethylene moiety. (C) 2008 Elsevier Ltd. All rights reserved.