3,6-bis(propylamino)-2-N,5-N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazine-2,5-dicarboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3,6-bis(propylamino)-2-N,5-N-bis[2-[(2,2,2-trifluoroacetyl)amino]ethyl]pyrazine-2,5-dicarboxamide
• 化学式: C₂₀H₂₈F₆N₈O₄
• 分子量: 558.5
• InChiKey: WEEJPNPABNSMHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  38
• 可旋转键数：
  14
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  166
• 氢给体数：
  6
• 氢受体数：
  14

文献信息

• Modified Pyrazine Derivatives and Uses Thereof
  申请人：Poreddy Amruta

  公开号：US20140170071A1

  公开（公告）日：2014-06-19

  In some embodiments, the invention provides modified pyrazine derivatives containing a central pyrazine ring with two secondary amine groups attached directly to the central pyrazine ring and two amino carbonyl groups attached directly to the central pyrazine ring. The secondary amine groups are terminated by alkyl groups containing from 1 to 6 carbons. The amino carbonyl groups can be terminated by a wide range of substituents including, but not limited to, alkyl and alkylene groups, polyether groups, including poly(ethylene glycol) groups, secondary and tertiary amine groups, polyhydroxylated alkyl groups, amino carbonyl groups, amino thioketone groups, and combinations thereof. In some embodiments, the invention provides modified pyrazine derivatives useful as optical agents in a wide variety of biomedical imaging procedures, including diagnostic and imaging procedures. In an embodiment, for example, modified pyrazine derivatives are provided which are useful in monitoring organ and system functioning, for example in monitoring renal system functioning.

  在某些实施例中，本发明提供了改性吡嗪衍生物，其中包含一个中央吡嗪环，其上直接连接有两个次级胺基团和两个氨基羰基基团。次级胺基团以含有1到6个碳的烷基基团为终止基团。氨基羰基基团可以以广泛的取代基为终止基团，包括但不限于烷基和烷基烯基、聚醚基，包括聚乙二醇基团、次级和三级胺基团、多羟基烷基基团、氨基羰基基团、氨基硫酮基团和它们的组合。在某些实施例中，本发明提供了改性吡嗪衍生物，用作广泛的生物医学成像过程中的光学试剂，包括诊断和成像过程。例如，在某些实施例中，提供了用于监测器官和系统功能的改性吡嗪衍生物，例如用于监测肾功能。