halitulin

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: halitulin
• 英文别名: 5-[4-(7,8-Dihydroxyquinolin-5-yl)-1-[3-(3-methylazecan-1-yl)propyl]pyrrol-3-yl]quinoline-7,8-diol；5-[4-(7,8-dihydroxyquinolin-5-yl)-1-[3-(3-methylazecan-1-yl)propyl]pyrrol-3-yl]quinoline-7,8-diol
• 化学式: C₃₅H₄₀N₄O₄
• 分子量: 580.727
• InChiKey: LXQYEHATTLKGJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  43
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  115
• 氢给体数：
  4
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 halitulin 在 吡啶 作用下， 生成 halitulin tetraacetate
  参考文献：
  名称：

  Halitulin, a new cytotoxic alkaloid from the marine sponge Haliclona tulearensis

  摘要：

  Halitulin (2), a novel bisquinolinylpyrrole has been isolated from the sponge Haliclona tulearensis. Its structure was elucidated mainly on the basis of spectroscopic data as well as chemical modifications. Halitulin was found to be cytotoxic against several tumor cells: P-388, A-549, HT-29 and MEL-28 in concentrations of 12-25 ng/ml. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)02467-8

文献信息

• Halitulin, a new cytotoxic alkaloid from the marine sponge Haliclona tulearensis
  作者：Yoel Kashman、Ganit Koren-Goldshlager、M.D.Garcia Gravalos、Michael Schleyer

  DOI：10.1016/s0040-4039(98)02467-8

  日期：1999.1

  Halitulin (2), a novel bisquinolinylpyrrole has been isolated from the sponge Haliclona tulearensis. Its structure was elucidated mainly on the basis of spectroscopic data as well as chemical modifications. Halitulin was found to be cytotoxic against several tumor cells: P-388, A-549, HT-29 and MEL-28 in concentrations of 12-25 ng/ml. (C) 1999 Elsevier Science Ltd. All rights reserved.