2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]-N-[(8Z,10S,13S,16S,19R,22S,25S,28S,31R)-16-(4-aminobutyl)-10,22-dibenzyl-28-[3-(diaminomethylideneamino)propyl]-13-[(1R)-1-hydroxyethyl]-19-(1H-indol-3-ylmethyl)-9,12,18,21,24,27,30-heptaoxo-11,14,17,20,23,26,29,34-octazatetracyclo[23.9.1.01,6.08,15]pentatriaconta-2,4,8(15)-trien-31-yl]acetamide

• 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
• 英文名称: 2-[[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methylsulfanyl]-N-[(8Z,10S,13S,16S,19R,22S,25S,28S,31R)-16-(4-aminobutyl)-10,22-dibenzyl-28-[3-(diaminomethylideneamino)propyl]-13-[(1R)-1-hydroxyethyl]-19-(1H-indol-3-ylmethyl)-9,12,18,21,24,27,30-heptaoxo-11,14,17,20,23,26,29,34-octazatetracyclo[23.9.1.01,6.08,15]pentatriaconta-2,4,8(15)-trien-31-yl]acetamide
• 化学式: C₇₈H₉₈N₁₆O₉S
• 分子量: 1435.8
• InChiKey: YOCNOFPPTLCBMJ-PPVQFVJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  104
• 可旋转键数：
  20
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  416
• 氢给体数：
  15
• 氢受体数：
  15

文献信息

• [EN] SOMATOSTATIN-DOPAMINE CHIMERIC ANALOGS<br/>[FR] ANALOGUES CHIMÈRES DE LA SOMATOSTATINE-DOPAMINE
  申请人：IPSEN PHARMA SAS

  公开号：WO2014070971A2

  公开（公告）日：2014-05-08

  The present invention relates to novel somatostatin-dopamine chimeric analogs and their therapeutic uses for the inhibition, prevention, and/or treatment of neoplasia, neuroendocrine tumors, Cushing's disease/syndrome, and other conditions.