ethyl 2,4-dihydroxybenzimidate hydrochloride | 83306-81-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: ethyl 2,4-dihydroxybenzimidate hydrochloride
• 英文别名: 2,4-Dihydroxybenzimidsaeureethylesterhydrochlorid；Ethyl2,4-dihydroxybenzimidatehydrochloride；ethyl 2,4-dihydroxybenzenecarboximidate;hydrochloride
• CAS: 83306-81-4
• 化学式: C₉H₁₁NO₃*ClH
• 分子量: 217.652
• InChiKey: VHWWFRGRSKNJGK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.36
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  75.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2,4-dihydroxybenzimidate hydrochloride 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以50%的产率得到2,4-Dihydroxybenzamidiniumchlorid
  参考文献：
  名称：

  Wagner; Briel, Pharmazie, 1982, vol. 37, # 4, p. 251 - 253

  摘要：

  DOI：
• 作为产物：
  描述：

  乙醇 、 2,4-二羟基苯腈 在 盐酸 作用下， 反应 720.0h， 以28%的产率得到ethyl 2,4-dihydroxybenzimidate hydrochloride
  参考文献：
  名称：

  Wagner; Briel, Pharmazie, 1982, vol. 37, # 4, p. 251 - 253

  摘要：

  DOI：

文献信息

• Methoxylation of Desazadesferrithiocin Analogues:  Enhanced Iron Clearing Efficiency
  作者：Raymond J. Bergeron、Jan Wiegand、James S. McManis、Jörg Bussenius、Richard E. Smith、William R. Weimar

  DOI：10.1021/jm020412d

  日期：2003.4.1

  The impact of altering the octanol-water partition properties (log P) of analogues of desazadesferrithiocin, (S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-methyl-4-thiazolecarboxylic acid, on the ligands iron clearing properties is described. Increasing chelator lipophilicity can both substantially augment iron clearing efficiency in Cebus apella primates as well as alter the mode of iron excretion, favoring fecal over urinary output. The complications of iron overload are often associated with the metal's interaction with hydrogen peroxide, generating hydroxyl radicals (Fenton chemistry) and, ultimately, other related deleterious species. In fact, some iron chelators actually promote this chemistry. All of the compounds synthesized and tested in the current study are shown to be both inhibitors of the iron-mediated oxidation of ascorbate, thus removing the metal from the Fenton cycle, and effective radical scavengers.
• Wagner; Briel, Pharmazie, 1982, vol. 37, # 4, p. 251 - 253
  作者：Wagner、Briel

  DOI：——

  日期：——