N-(2-(2-Cyanoacetamido)ethyl)acridine-4-carboxamide | 851320-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: N-(2-(2-Cyanoacetamido)ethyl)acridine-4-carboxamide
• 英文别名: N-[2-[(2-cyanoacetyl)amino]ethyl]acridine-4-carboxamide
• CAS: 851320-13-3
• 化学式: C₁₉H₁₆N₄O₂
• 分子量: 332.4
• InChiKey: VXOBEMXFTLHNPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  94.9
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Tricarbonyl complexes of rhenium and technetium comprising amino acids as bidentate ligands and their use as radiotherapeutic chemotoxic agents.
  申请人：Universität Zürich

  公开号：EP2196222A1

  公开（公告）日：2010-06-16

  A metal tricarbonyl compound of the general formula wherein M is rhenium or technetium or an isotope thereof; two of X1, X2 and X3 are part of a bidentate ligand and the other one is optionally a monodentate ligand selected from the group consisting of halogens, CO, aromatic heterocycles, thioethers and isocyanides, wherein the aromatic heterocycles are selected from the group consisting of pyridine, pyrimidine, pyrazine, imidazole, pyrazole, triazole, tetrazole, thiazole, and oxazole, wherein the bidentate ligand is an amino acid.

  通式如下的金属三羰基化合物 其中 M 是铼或锝或其同位素； X1、X2 和 X3 中的两个是双齿配体的一部分，另一个是可选的单齿配体，选自由卤素、CO、芳香杂环、硫醚和异氰酸酯组成的组，其中芳香杂环选自由吡啶、嘧啶、吡嗪、咪唑、吡唑、三唑、四唑、噻唑和噁唑组成的组，其中双齿配体是氨基酸。
• Use of metal tricarbonyl complexes as radiotherapeutic chemotoxic agents
  申请人：Alberto Roger

  公开号：US20070071672A1

  公开（公告）日：2007-03-29

  The invention relates to the use of metal tricarbonyl compounds of the general formula [M(CO),L,]′, wherein M is rhenium or technetium or an isotope thereof and L is a ligand, for the preparation of a medicament for the treatment of cancer that is both radiotherapeutic and chemotoxic when a radioactive metal is used and chemotoxic when cold rhenium or macroscopic amounts of long-lived Tc-99 is used. The medicament is in particular chemotoxic by causing intrastrand linkages in DNA. In a specific embodiment at least one of L is not OH2. The invention further relates to novel compounds of the general formula IM(CO)3XIX2X3]+ and their use, wherein M is rhenium or technetium or an isotope thereof and at least one X1. X2 and X3 is a monodentate ligand; or two of X, X2 and X3 are part of a bidentate ligand and the other one is optionally a monodentate ligand.