(3'S,5'S,8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]-3'-amine | 1161975-66-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3'S,5'S,8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]-3'-amine
• CAS: 1161975-66-1
• 化学式: C₂₀H₃₃NO₂
• 分子量: 319.488
• InChiKey: GAHZWRONEVOSOE-GDWHUGQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2'-二溴二乙醚 、 (3'S,5'S,8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]-3'-amine 在 碳酸氢钠 作用下， 以 甲苯 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Discovery of Potent and Practical Antiangiogenic Agents Inspired by Cortistatin A

  摘要：

  The discovery that cortistatins A and J show noteworthy antiangiogenic activity prompted an investigation of the possibility that simpler and much more easily made compounds based on a steroid core might have useful bioactivity. These studies have led to the development of several potent, water-soluble compounds that may be suitable for local application to treat ocular wet macular degeneration, an important cause of blindness, as well as for treatment of various other angiogenesis-dependent diseases. One of these substances was tested in a mouse retinal angiogenesis model and found to inhibit angiogenesis at a locally administered dose of 500 pmol. Comparison of cell migration data for this and two other synthetic compounds with published data on cortistatin A indicate that they inhibit vascular endothelial growth factor-induced cell migration of human umbilical vein endothelial cells more strongly than cortistatin A.

  DOI：

  10.1021/ja902601e
• 作为产物：
  描述：

  在 sodium 、 水 作用下， 以 异丙醇 为溶剂， 反应 4.0h， 以90%的产率得到(3'S,5'S,8'R,9'R,10'S,13'S,14'S)-13'-methylspiro[1,3-dioxolane-2,17'-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene]-3'-amine
  参考文献：
  名称：

  [EN] ANGIOGENESIS INHIBITORS
  [FR] INHIBITEURS DE L'ANGIOGENÈSE

  摘要：

  公开号：

  WO2010123545A3

文献信息

• ANGIOGENESIS INHIBITORS
  申请人：Corey Elias James

  公开号：US20120190659A1

  公开（公告）日：2012-07-26

  Compounds of Structural Formula I or pharmaceutically acceptable salts thereof, are effective inhibitors of angiogenesis:

  结构式I的化合物或其药学上可接受的盐，是有效的抑制血管生成的抑制剂：