| 1268723-56-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 1268723-56-3
• 化学式: C₄₆H₆₅FN₁₀O₉S
• 分子量: 953.148
• InChiKey: FXWGOSCXBQSWTC-RXPNKOBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.23
• 重原子数：
  67.0
• 可旋转键数：
  27.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  290.09
• 氢给体数：
  8.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  在 三氟乙酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Biotin Ergopeptide Probes for Dopamine Receptors

  摘要：

  The incorporation of chemical modifications into the structure of bioactive compounds is often difficult because the biological properties of the new molecules must be retained with respect to the native ligand. Ergopeptides, with their high affinities at D-1 and D-2 dopamine receptors, are particularly complex examples. Here, we report the systematic derivatization of two ergopeptides with different peptide-based spacers and their evaluation by radioligand binding assays. Selected spacer-containing ergopeptides with minimal biological alteration and a proper anchoring point were further derivatized with a biotin reporter. Detailed characterization studies identified 13 as a biotin ergopeptide maintaining high affinity and agonist behavior at dopamine receptors, being a useful tool for the study of heteromers involving D1R, D2R, or D3R.

  DOI：

  10.1021/jm101566d
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 水 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Biotin Ergopeptide Probes for Dopamine Receptors

  摘要：

  The incorporation of chemical modifications into the structure of bioactive compounds is often difficult because the biological properties of the new molecules must be retained with respect to the native ligand. Ergopeptides, with their high affinities at D-1 and D-2 dopamine receptors, are particularly complex examples. Here, we report the systematic derivatization of two ergopeptides with different peptide-based spacers and their evaluation by radioligand binding assays. Selected spacer-containing ergopeptides with minimal biological alteration and a proper anchoring point were further derivatized with a biotin reporter. Detailed characterization studies identified 13 as a biotin ergopeptide maintaining high affinity and agonist behavior at dopamine receptors, being a useful tool for the study of heteromers involving D1R, D2R, or D3R.

  DOI：

  10.1021/jm101566d