[2,13-Dioxo-5-(2-phenylacetyl)oxy-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,17,19-tetraen-16-yl] 2-phenylacetate

• 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: [2,13-Dioxo-5-(2-phenylacetyl)oxy-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,17,19-tetraen-16-yl] 2-phenylacetate
• 英文别名: [2,13-dioxo-5-(2-phenylacetyl)oxy-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.01,14.03,12.04,10.015,20]tricosa-6,9,17,19-tetraen-16-yl] 2-phenylacetate
• 化学式: C₃₄H₂₈N₂O₇S₂
• 分子量: 640.7
• InChiKey: KQVJBLVDMWNKKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• EPIDITHIODIOXOPIPERAZINE COMPOUND OR ITS DERIVATIVES, AND THE USE THEREOF
  申请人：EWHA UNIVERSITY-INDUSTRY COLLABORATION FOUNDATION

  公开号：US20170239261A1

  公开（公告）日：2017-08-24

  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.