<2R-(2R*,6R*)>-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecan-3,8,12-trione | 146953-20-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: <2R-(2R*,6R*)>-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecan-3,8,12-trione
• 英文别名: (2R,6R)-2-(1H-indol-3-ylmethyl)-2-methyl-6-phenyl-1,4,7-triazacyclododecane-3,8,12-trione
• CAS: 146953-20-0
• 化学式: C₂₅H₂₈N₄O₃
• 分子量: 432.522
• InChiKey: ORQHOMZBHWKJCS-SQJMNOBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  103
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  -5-<<2-<(2-amino-2-phenylethyl)amino>-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxoethyl>amino>-5-oxopentanoic acid monohydrochloride 在 二苯基膦叠氮化物 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以24%的产率得到<2R-(2R*,6R*,14R*,18R*)>-2,14-bis(1H-indol-3-ylmethyl)-2,14-dimethyl-6,18-diphenyl-1,4,7,13,16,19-hexaazacyclotetracosan-3,8,12,15,20,24-hexaone
  参考文献：
  名称：

  Synthesis of conformationally constrained macrocyclic analogs of the potent and selective CCK-B antagonist CI-988.

  摘要：

  A series of conformationally constrained analogs of the potent CCK-B antagonist CI-988 were prepared and evaluated for their CCK-B binding affinity. A macrolactamization reaction leading to the formation of 11 to 14-membered rings was also investigated.

  DOI：

  10.1016/s0040-4020(01)86257-8

文献信息

• Synthesis of conformationally constrained macrocyclic analogs of the potent and selective CCK-B antagonist CI-988.
  作者：Gary L. Bolton、Bruce D. Roth、B.K. Trivedi

  DOI：10.1016/s0040-4020(01)86257-8

  日期：1993.1

  A series of conformationally constrained analogs of the potent CCK-B antagonist CI-988 were prepared and evaluated for their CCK-B binding affinity. A macrolactamization reaction leading to the formation of 11 to 14-membered rings was also investigated.