| 103022-89-5

• 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: 103022-89-5
• 化学式: C₄₉H₅₅N₇O₉
• 分子量: 886.017
• InChiKey: RXRXPLFPAKUYGD-BGHFJANFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.0
• 重原子数：
  65.0
• 可旋转键数：
  12.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  198.95
• 氢给体数：
  5.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  [(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate 在 4-二甲氨基吡啶 、 sodium cyanoborohydride 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 20.25h， 生成
  参考文献：
  名称：

  Cholecystokinin antagonists. Synthesis of asperlicin analogs with improved potency and water solubility

  摘要：

  Seventeen analogues of the selective, competitive cholecystokinin (CCK) antagonist asperlicin 1 were prepared. These compounds were tested as inhibitors of the binding of [125I]CCK to rat pancreas and guinea pig brain receptors. Compounds 4, 7, and 8 were more potent than asperlicin on the pancreatic CCK receptor. One analogue, 17, displayed potency equivalent to asperlicin on the pancreas CCK receptor and showed a marked improvement in aqueous solubility, thereby facilitating the use of this class of CCK antagonists in physiological and pharmacological studies.

  DOI：

  10.1021/jm00160a024