N-氨基-N’-戊基胍氢碘酸盐 | 169789-35-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: N-氨基-N’-戊基胍氢碘酸盐
• 中文别名: N-氨基-N'-戊基胍氢碘酸盐
• 英文名称: N-amino-N'-pentyl guanidine hydroiodide
• 英文别名: N-pentyl-N'-aminoguanidine hydroiodide；N-pentylhydrazinecarboximidamide hydroiodide；N-amino-N'-pentylguanidine hydroiodide；4-pentylaminoguanidine hydroiodide；1-amino-2-pentylguanidine;hydroiodide
• CAS: 169789-35-9
• 化学式: C₆H₁₆N₄*HI
• 分子量: 272.132
• InChiKey: IESUXRUKTRCBED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  76.4
• 氢给体数：
  4
• 氢受体数：
  2

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  N-氨基-N’-戊基胍氢碘酸盐 在 palladium on activated charcoal 盐酸 、 氢气 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 13.0h， 生成 3-{[5-(benzoyloxy)-1H-indol-3-yl]methylene}-N-pentylcarbazimidamide
  参考文献：
  名称：

  The Serotonin 5-HT4 Receptor. 2. Structure-Activity Studies of the Indole Carbazimidamide Class of Agonists

  摘要：

  A number of substituted indole carbazimidamides were prepared and evaluated as 5-HT4 receptor agonists by using the isolated field-stimulated guinea pig ileum preparation. Their selectivity for the 5-HT4 receptor was established by examining their affinity for other 5-HT receptors using radioligand-binding techniques. Several selective and highly potent full as well as partial agonists emerged from this study. For example, 1b,d were found to be the most potent, full 5-HT4 receptor agonists described so far (EC(50) = 0.5 and 0.8 nM, respectively), being 6 and 4 times more potent than serotonin itself. On the other hand, 5b and 1h appeared as partial 5-HT4 receptor agonists in the nonstimulated guinea pig ileum preparation with potencies, evaluated against serotonin action, respectively similar (5b, K-i = 12 nM) to and 300-fold higher (1h, K-i = 0.04 nM) than serotonin.

  DOI：

  10.1021/jm00013a010
• 作为产物：
  描述：

  S-甲基异硫氨基脲盐酸盐 、 1-氨基戊烷 以 甲醇 为溶剂， 反应 2.0h， 生成 N-氨基-N’-戊基胍氢碘酸盐
  参考文献：
  名称：

  Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands

  摘要：

  本发明提供了一种公式I的化合物，以及该化合物用于治疗与5-HT6受体相关或受其影响的疾病。

  公开号：

  US20040002527A1

文献信息

• Indolylalkylidenehydrazine-carboximidamide derivatives as 5-hydroxytryptamine-6 ligands
  申请人：Wyeth

  公开号：US20040002527A1

  公开（公告）日：2004-01-01

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment of a disorder relating to or affected by the 5-HT6 receptor. 1

  本发明提供了一种公式I的化合物，以及该化合物用于治疗与5-HT6受体相关或受其影响的疾病。
• New addition salt of N-amino-N'-pentylguanidine, the process for its preparation and use thereof for obtaining tegaserod
  申请人：Chemo Ibérica, S.A.

  公开号：EP1955998A1

  公开（公告）日：2008-08-13

  The present invention refers to a new addition salt of N-amino-N'-pentylguanidine, particularly to the oxalate addition salt of N-amino-N'-pentylguanidine. The process for preparing said oxalate addition salt comprises the steps of: a) reacting the N-amino-N'-pentylguanidine, as a free base or in a salt form, with oxalic acid in a polar medium; and b) recovering the product in a solid form. This addition salt is useful for obtaining the tegaserod free base with a better purity and yield.

  本发明涉及一种新的N-氨基-N'-戊基胍二羧酸盐，特别是N-氨基-N'-戊基胍二羧酸盐。制备该草酸盐的方法包括以下步骤：a)在极性介质中，将N-氨基-N'-戊基胍二羧酸盐或游离碱与草酸反应；b)以固体形式回收产物。该草酸盐可用于获得更高纯度和产率的替加色胺游离碱。
• Synthesis and Characterization of Process Related Impurities of Tegaserod Maleate
  作者：L.K. Ravindranath,、Kakarlapudi Ranga Raju,、Kanumalla Srikanth Singamsetty,、Radha Krishna,

  DOI：10.1515/hc.2010.16.2-3.195

  日期：2010.6

  Attempts to synthesize impurities of Gastro prokinetic drug tegaserod maleate, Three unknown impurities in tegaserod maleate bulk drug at level below 0.1% (ranging from 0.05 to 0.1 %) were detected by simple reverse phase high performance liquid chromatography (HPLC). These impurities were preliminarily identified with LCMS and by knowing the mass of the impurities, different experiments were conducted

  尝试合成促胃动力药马来酸替加色罗的杂质，通过简单的反相高效液相色谱 (HPLC) 检测到马来酸替加色罗原料药中浓度低于 0.1%（范围为 0.05 至 0.1%）的三种未知杂质。这些杂质通过LCMS初步鉴定，并通过了解杂质的质量，进行不同的实验，最终合成并表征为未知杂质
• Process for preparing tegaserod
  申请人：Sundaram Venkataraman

  公开号：US20060178519A1

  公开（公告）日：2006-08-10

  A process for preparing tegaserod.

  一种制备替加色烷的过程。
• Preparation of tegaserod and tegaserod maleate
  申请人：Ini Santiago

  公开号：US20060106086A1

  公开（公告）日：2006-05-18

  Provided are processes for preparation of tegaserod and the maleate salt thereof.

  提供了制备替加色烷及其马来酸盐的过程。