| 850220-44-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 850220-44-9
• 化学式: C₅₀H₈₄N₄O₁₆
• 分子量: 997.234
• InChiKey: GRNWKNNAHSJYDQ-WJJBOKRYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.77
• 重原子数：
  70.0
• 可旋转键数：
  14.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  265.36
• 氢给体数：
  6.0
• 氢受体数：
  18.0

反应信息

• 作为反应物：
  描述：

  在 甲醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of BODIPY®–erythromycin probes for bacterial ribosomes

  摘要：

  BODIPY (R)-erythromycin probes of bacterial ribosomes were designed and synthesized by attaching a BODIPY (R) fluorophore to the 4"- and 9-positions of the erythromycin structure. The probes exhibited excellent binding affinity to bacterial ribosomes and competed with erythromycin and other drugs whose binding sites are in the same vicinity of the 50S subunit. The synthetic fluorescent probe 5 was successfully adapted in our ultra high-throughput screening (uHTS) to identify novel ribosome inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.028
• 作为产物：
  描述：

  (9S)-9-氨基-9-脱氧乙琥红霉素 在 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 29.0h， 生成
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of BODIPY®–erythromycin probes for bacterial ribosomes

  摘要：

  BODIPY (R)-erythromycin probes of bacterial ribosomes were designed and synthesized by attaching a BODIPY (R) fluorophore to the 4"- and 9-positions of the erythromycin structure. The probes exhibited excellent binding affinity to bacterial ribosomes and competed with erythromycin and other drugs whose binding sites are in the same vicinity of the 50S subunit. The synthetic fluorescent probe 5 was successfully adapted in our ultra high-throughput screening (uHTS) to identify novel ribosome inhibitors. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.028