1,3,2,6-Tetraguanidinoneamine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1,3,2,6-Tetraguanidinoneamine
• 英文别名: 2-[[(2R,3S,4R,5R,6R)-6-[(1R,2R,3S,4R,6S)-4,6-bis(diaminomethylideneamino)-2,3-dihydroxycyclohexyl]oxy-5-(diaminomethylideneamino)-3,4-dihydroxyoxan-2-yl]methyl]guanidine
• 化学式: C₁₆H₃₄N₁₂O₆
• 分子量: 490.523
• InChiKey: BNWODYWXZNMCKX-HKEUSBCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  357
• 氢给体数：
  12
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  新霉胺 在 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 生成 1,3,2,6-Tetraguanidinoneamine
  参考文献：
  名称：

  Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease

  摘要：

  A series of mono-, di-, and tri-guanidinylated derivatives of neamine were prepared via selective guanidinylation of neamine. These molecules represent a novel scaffold as inhibitors of anthrax lethal factor zinc metalloprotease. Methods for the synthesis of these compounds are described, and structure-activity relationships among the series are analyzed. In addition, initial findings regarding the mechanism of LF inhibition for these molecules are presented. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.07.005

文献信息

• Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease
  作者：Guan-Sheng Jiao、Ondrej Simo、Melissa Nagata、Sean O’Malley、Thomas Hemscheidt、Lynne Cregar、Sherri Z. Millis、Mark E. Goldman、Cho Tang

  DOI：10.1016/j.bmcl.2006.07.005

  日期：2006.10

  A series of mono-, di-, and tri-guanidinylated derivatives of neamine were prepared via selective guanidinylation of neamine. These molecules represent a novel scaffold as inhibitors of anthrax lethal factor zinc metalloprotease. Methods for the synthesis of these compounds are described, and structure-activity relationships among the series are analyzed. In addition, initial findings regarding the mechanism of LF inhibition for these molecules are presented. (c) 2006 Elsevier Ltd. All rights reserved.