5-(dimethylamino)-N-[2-oxo-2-[4-[3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]propyl]piperazin-1-yl]ethyl]naphthalene-1-sulfonamide | 1218923-48-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 5-(dimethylamino)-N-[2-oxo-2-[4-[3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]propyl]piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
• CAS: 1218923-48-8
• 化学式: C₃₆H₅₂N₄O₇S
• 分子量: 684.897
• InChiKey: PFQASIMYNPCHIQ-BVHUHBKTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  48
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1-(3-((3R,5aS,6R,8aS,9R,10R,12R,12aR)-3,6,9-trimethyldecahydro-12H-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl)propyl)piperazine 、 丹磺酰甘氨酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以92%的产率得到5-(dimethylamino)-N-[2-oxo-2-[4-[3-[(1R,4S,5R,8S,9R,10R,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]propyl]piperazin-1-yl]ethyl]naphthalene-1-sulfonamide
  参考文献：
  名称：

  Subcellular Localization of a Fluorescent Artemisinin Derivative to Endoplasmic Reticulum

  摘要：

  A cytotoxic artemisinin derivative conjugated with a fluorescent dansyl moiety was synthesized and its subcellular localization in Hep3B cells was examined. Comparison of the localization signals of the fluorescent artemisinin derivative with organelle specific dyes revealed that endoplasmic reticulum (ER) is the main site of its accumulation.

  DOI：

  10.1021/ol902890j

文献信息

• Subcellular Localization of a Fluorescent Artemisinin Derivative to Endoplasmic Reticulum
  作者：Yungen Liu、Chun-Nam Lok、Ben Chi-Bun Ko、Tina Yuen-Ting Shum、Man-Kin Wong、Chi-Ming Che

  DOI：10.1021/ol902890j

  日期：2010.4.2

  A cytotoxic artemisinin derivative conjugated with a fluorescent dansyl moiety was synthesized and its subcellular localization in Hep3B cells was examined. Comparison of the localization signals of the fluorescent artemisinin derivative with organelle specific dyes revealed that endoplasmic reticulum (ER) is the main site of its accumulation.