2-Chloro-N-[3-(2-chloro-acetylamino)-6-phenyl-phenanthridin-8-yl]-acetamide | 865439-43-6

• 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: 2-Chloro-N-[3-(2-chloro-acetylamino)-6-phenyl-phenanthridin-8-yl]-acetamide
• 英文别名: 2-chloro-N-[3-[(2-chloroacetyl)amino]-6-phenylphenanthridin-8-yl]acetamide
• CAS: 865439-43-6
• 化学式: C₂₃H₁₇Cl₂N₃O₂
• 分子量: 438.313
• InChiKey: RLBGESRAGPJYEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.41
• 重原子数：
  30.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  71.09
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-N-[3-(2-chloro-acetylamino)-6-phenyl-phenanthridin-8-yl]-acetamide 在 sodium azide 、 tetrakis(actonitrile)copper(I) hexafluorophosphate 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.01h， 生成 2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]triazol-1-yl]-N-[3-[[2-[4-[[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxymethyl]triazol-1-yl]acetyl]amino]-6-phenylphenanthridin-8-yl]acetamide
  参考文献：
  名称：

  Size-Specific Ligands for RNA Hairpin Loops

  摘要：

  The targeting of one mRNA in the transcriptome requires small molecules that bind with substantial affinity and specificity. As such, compounds with specificity for individual RNA secondary structural motifs could be useful for targeting RNA. Described herein is the synthesis of a combinatorial library of 105 dimers of deoxystreptamine and the subsequent identification of compounds with specificity for specific RNA hairpin loop sizes, including tetraloops and octaloops. Such compounds will be useful for the perturbation of RNA function in vivo.

  DOI：

  10.1021/ja051685b
• 作为产物：
  描述：

  3,8-二氨基-6-苯基菲啶 、 氯乙酰氯 在 三乙胺 作用下， 以 苯 为溶剂， 反应 5.0h， 生成 2-Chloro-N-[3-(2-chloro-acetylamino)-6-phenyl-phenanthridin-8-yl]-acetamide
  参考文献：
  名称：

  Size-Specific Ligands for RNA Hairpin Loops

  摘要：

  The targeting of one mRNA in the transcriptome requires small molecules that bind with substantial affinity and specificity. As such, compounds with specificity for individual RNA secondary structural motifs could be useful for targeting RNA. Described herein is the synthesis of a combinatorial library of 105 dimers of deoxystreptamine and the subsequent identification of compounds with specificity for specific RNA hairpin loop sizes, including tetraloops and octaloops. Such compounds will be useful for the perturbation of RNA function in vivo.

  DOI：

  10.1021/ja051685b