3-(piperidin-1-carbothioyl)thiomethyl-(1,4-dioxo-1,4-dihydronaphthalene-2-yl)methyl piperidin-1-carbodithioate | 101918-38-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-(piperidin-1-carbothioyl)thiomethyl-(1,4-dioxo-1,4-dihydronaphthalene-2-yl)methyl piperidin-1-carbodithioate
• 英文别名: [1,4-Dioxo-3-(piperidine-1-carbothioylsulfanylmethyl)naphthalen-2-yl]methyl piperidine-1-carbodithioate；[1,4-dioxo-3-(piperidine-1-carbothioylsulfanylmethyl)naphthalen-2-yl]methyl piperidine-1-carbodithioate
• CAS: 101918-38-1
• 化学式: C₂₄H₂₈N₂O₂S₄
• 分子量: 504.763
• InChiKey: WIGPYCHUOFWTOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  155
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌啶 、 二硫化碳 、 2,3-二(氯甲基)-1,4-二氢萘-1,4-二酮 以 乙腈 为溶剂， 反应 48.5h， 以83.5%的产率得到3-(piperidin-1-carbothioyl)thiomethyl-(1,4-dioxo-1,4-dihydronaphthalene-2-yl)methyl piperidin-1-carbodithioate
  参考文献：
  名称：

  Anti-cancer effect of a novel 2,3-didithiocarbamate-substituted naphthoquinone as a tumor metabolic suppressorin vitroandin vivo

  摘要：

  抑制肿瘤细胞新陈代谢是治疗癌症的一种吸引人的策略。我们发现了一种2,3-二硫代碳酸酯取代萘醌3i，通过干扰肿瘤细胞的代谢来抑制其增殖。

  DOI：

  10.1039/c8md00062j

文献信息

• Phosphatase Binding Compounds and Methods of Using Same
  申请人：Yale University

  公开号：US20200268897A1

  公开（公告）日：2020-08-27

  The present invention provides bifunctional compounds that efficiently dephosphorylate certain phospho-activated target proteins. Such target proteins can be any protein involved in the pathway of a disease or disorder, such as but not limited to cancer, neurodegeneration, metabolic disease, diabetes, insulin resistance, and so forth.
• Anti-cancer effect of a novel 2,3-didithiocarbamate-substituted naphthoquinone as a tumor metabolic suppressor<i>in vitro</i>and<i>in vivo</i>
  作者：Xianling Ning、Yunqiao Li、Hailong Qi、Ridong Li、Yan Jin、Junyi Liu、Yuxin Yin

  DOI：10.1039/c8md00062j

  日期：——

  Suppressing tumor cell metabolism is an attractive strategy for treating cancer. We identified a 2,3-didithiocarbamate-substituted naphthoquinone3ithat inhibited the proliferation of tumor cells by disturbing their metabolism.

  抑制肿瘤细胞新陈代谢是治疗癌症的一种吸引人的策略。我们发现了一种2,3-二硫代碳酸酯取代萘醌3i，通过干扰肿瘤细胞的代谢来抑制其增殖。