1,5,7-trimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione | 49593-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1,5,7-trimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
• 英文别名: 1,3,4-Trimethyl-3,6-epidithio-2,5-dioxopiperazine
• CAS: 49593-06-8
• 化学式: C₇H₁₀N₂O₂S₂
• 分子量: 218.301
• InChiKey: OIFUXQUHQYUSEZ-UHFFFAOYSA-N

物化性质

• 熔点：
  127-128 °C
• 沸点：
  449.9±45.0 °C(Predicted)
• 密度：
  1.438±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  91.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(Tosyloxy)-3-methylene-4-methyl-2,5-dioxopiperazine 在 吡啶 、 硫化氢 、 potassium tert-butylate 、 碘 、 potassium carbonate 、 zinc(II) chloride 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 48.25h， 生成 1,5,7-trimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
  参考文献：
  名称：

  Biosynthesis of gliotoxin. Synthesis of sulfur-bridged dioxopiperazines from N-hydroxyamino acids

  摘要：

  DOI：

  10.1021/jo01298a024

文献信息

• [EN] EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF<br/>[FR] COMPOSÉ ÉPIDITHIODIOXOPIPÉRAZINE OU SES DÉRIVÉS, ET LEUR UTILISATION
  申请人：UNIV EWHA IND COLLABORATION

  公开号：WO2014189343A1

  公开（公告）日：2014-11-27

  The present invention relates to an epidithiodioxopiperazine derivative represented by the Chemical Formula 1 or its reduced derivative; a method for preparing a compound represented by Chemical Formula 1 having improved intracellular permeability and mimicking the activity of 2-Cys-Prx in its reduced form in the cells; a pharmaceutical composition for preventing or treating vascular diseases comprising an epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient; a drug delivery device for local administration including the pharmaceutical composition; and a pharmaceutical composition for inhibiting melanoma metastasis comprising the epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient.

  本发明涉及一种由化学式1表示的二硫代二氧哌嗪衍生物或其还原衍生物；一种制备化学式1所代表的化合物的方法，该化合物具有改善细胞内渗透性并在细胞中模拟其还原形式中2-Cys-Prx的活性；一种用作预防或治疗血管疾病的药物组合物，其包括二硫代二氧哌嗪化合物或其衍生物或其药用盐作为活性成分；一种用于局部给药的药物递送装置，包括该药物组合物；以及一种用作抑制黑色素瘤转移的药物组合物，其包括二硫代二氧哌嗪化合物或其衍生物或其药用盐作为活性成分。
• EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF
  申请人：EWHA University-Industry Collaboration Foundation

  公开号：US20160222031A1

  公开（公告）日：2016-08-04

  The present invention relates to an epidithiodioxopiperazine derivative represented by the following Chemical Formula 1 or its reduced derivative; a method for preparing a compound represented by Chemical Formula 1 having improved intracellular permeability and mimicking the activity of 2-Cys-Prx in its reduced form in the cells; a pharmaceutical composition for preventing or treating vascular diseases comprising an epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient; a drug delivery device for local administration including the pharmaceutical composition; and a pharmaceutical composition for inhibiting melanoma metastasis comprising the epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient.

  本发明涉及以下化学式1所表示的表皮二硫二氧哌嗪衍生物或其还原衍生物；一种制备化学式1所表示的化合物的方法，该方法具有改善细胞内渗透性并在其还原形式下模拟2-Cys-Prx在细胞中的活性；一种预防或治疗血管疾病的制药组合物，包括表皮二硫二氧哌嗪化合物或其衍生物或其药学上可接受的盐作为活性成分；一种用于局部给药的药物递送装置，包括该制药组合物；以及一种抑制黑色素瘤转移的制药组合物，包括表皮二硫二氧哌嗪化合物或其衍生物或其药学上可接受的盐作为活性成分。
• EPIDITHIODIOXOPIPERAZINE COMPOUND OR DERIVATIVE THEREOF, OR PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PULMONARY HYPERTENSION, CONTAINING PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF
  申请人：VASTHERA Co. Ltd.

  公开号：EP3650026A1

  公开（公告）日：2020-05-13

  The present invention relates to a pharmaceutical composition for preventing or treating pulmonary arterial hypertension, which comprises an epidithiodioxopiperazine (ETP) compound or a derivative thereof, or a pharmaceutically acceptable salt thereof.

  本发明涉及一种用于预防或治疗肺动脉高压的药物组合物，该组合物由表硫二酮哌嗪（ETP）化合物或其衍生物或其药学上可接受的盐组成。
• Epidithiodioxopiperazine compound or its derivatives, and the use thereof
  申请人：VASTHERA Co. Ltd.

  公开号：US10450327B2

  公开（公告）日：2019-10-22

  The present invention relates to an epidithiodioxopiperazine derivative represented by the following Chemical Formula 1 or its reduced derivative; a method for preparing a compound represented by Chemical Formula 1 having improved intracellular permeability and mimicking the activity of 2-Cys-Prx in its reduced form in the cells; a pharmaceutical composition for preventing or treating vascular diseases comprising an epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient; a drug delivery device for local administration including the pharmaceutical composition; and a pharmaceutical composition for inhibiting melanoma metastasis comprising the epidithiodioxopiperazine compound or its derivatives or pharmaceutically acceptable salts thereof as an active ingredient.

  本发明涉及一种由以下化学式1代表的表二硫代二酮哌嗪衍生物或其还原衍生物；一种制备由化学式1代表的化合物的方法，该化合物具有更好的细胞内渗透性，并能模拟细胞内还原形式的2-Cys-Prx的活性；一种用于预防或治疗血管疾病的药物组合物，其活性成分包括表二硫基二氧代哌嗪化合物或其衍生物或其药学上可接受的盐类；一种用于局部给药的给药装置，其活性成分包括该药物组合物；以及一种用于抑制黑色素瘤转移的药物组合物，其活性成分包括表二硫基二氧代哌嗪化合物或其衍生物或其药学上可接受的盐类。
• FUKUYAMA T.; NAKATSUKA S.; KISHI Y., TETRAHEDRON LETT. <TELE-AY>, 1976, NO 38, 3393-3396
  作者：FUKUYAMA T.、 NAKATSUKA S.、 KISHI Y.

  DOI：——

  日期：——