(4S)-2-(2-hydroxy-phenyl)-5t-methyl-4,5-dihydro-oxazole-4r-carboxylic acid [4-(2,3-dihydroxy-benzoylamino)-butyl]-[3-(2,3-dihydroxy-benzoylamino)-propyl]-amide | 74149-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4S)-2-(2-hydroxy-phenyl)-5t-methyl-4,5-dihydro-oxazole-4r-carboxylic acid [4-(2,3-dihydroxy-benzoylamino)-butyl]-[3-(2,3-dihydroxy-benzoylamino)-propyl]-amide
• 英文别名: Parabactin；parabactin；N-[4-[(2,3-dihydroxybenzoyl)amino]butyl]-N-[3-[(2,3-dihydroxybenzoyl)amino]propyl]-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
• CAS: 74149-70-5
• 化学式: C₃₂H₃₆N₄O₉
• 分子量: 620.659
• InChiKey: FRCJDPPXHQGEKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  201
• 氢给体数：
  7
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N¹,N⁸-bis(2,3-dimethoxybenzoyl)spermidine 在 palladium dichloride 盐酸 、 N-羟基丁二酰亚胺 、 水 、 氢气 、 三溴化硼 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 甲醇 为溶剂， 反应 54.0h， 生成 (4S)-2-(2-hydroxy-phenyl)-5t-methyl-4,5-dihydro-oxazole-4r-carboxylic acid [4-(2,3-dihydroxy-benzoylamino)-butyl]-[3-(2,3-dihydroxy-benzoylamino)-propyl]-amide
  参考文献：
  名称：

  Short synthesis of parabactin

  摘要：

  DOI：

  10.1021/ja00380a032

文献信息

• Water-soluble compound
  申请人：Tuszynski A. Jack

  公开号：US20070027129A1

  公开（公告）日：2007-02-01

  A water-soluble magnetic anti-mitotic compound with a water-solubility of at least 100 micrograms per milliliter, a molecular weight of at least 150 grams per mole, a mitotic index factor of at least 10 percent, a positive magnetic susceptibility of at least 1,000×10 −6 cgs, and a magnetic moment of at least 0.5 bohr magnetrons, wherein said compound is comprised of at least 7 carbon atoms and at least one inorganic atom with a positive magnetic susceptibility of at least 200×10 −6 cgs.
• Process for treating a biological organism
  申请人：Tuszynski Jack

  公开号：US20080119421A1

  公开（公告）日：2008-05-22

  A process for treating a biological organism, comprising the steps in which a cell cycle arresting drug is administered to the organism to produce synchronized cells, the microtubules within the synchronized cells are stabilized by means of a microtubule stabilizing agent, and the synchronized cells with the stabilized microtubules are then contacted with mechanical vibrational energy.
• Short synthesis of parabactin
  作者：Raymond J. Bergeron、Steven J. Kline

  DOI：10.1021/ja00380a032

  日期：1982.8