6,19-dimethyl-2,6,10,15,19,23-hexaazatricyclo[22.2.0.0^11,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetraone | 679427-52-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6,19-dimethyl-2,6,10,15,19,23-hexaazatricyclo[22.2.0.0^11,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetraone
• 英文别名: 6,19-Dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone
• CAS: 679427-52-2
• 化学式: C₂₂H₃₄N₆O₄
• 分子量: 446.55
• InChiKey: CONBRGJIPPGVTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  123
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  6,19-dimethyl-2,6,10,15,19,23-hexaazatricyclo[22.2.0.0^11,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetraone 、 碘甲烷 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  A squaramide fluorescent ensemble for monitoring sulfate in water

  摘要：

  提出了一种简单的分子传感器，该传感器利用了包含在一个阴离子识别位点内的两个磺酰胺单元独特的猝灭和结合能力，用于监测水中的硫酸盐。

  DOI：

  10.1039/b104172j
• 作为产物：
  描述：

  N,N-双(3-氨丙基)甲胺 以 乙醚 、 乙醇 为溶剂， 反应 7.0h， 生成 6,19-dimethyl-2,6,10,15,19,23-hexaazatricyclo[22.2.0.0^11,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetraone
  参考文献：
  名称：

  A squaramide fluorescent ensemble for monitoring sulfate in water

  摘要：

  提出了一种简单的分子传感器，该传感器利用了包含在一个阴离子识别位点内的两个磺酰胺单元独特的猝灭和结合能力，用于监测水中的硫酸盐。

  DOI：

  10.1039/b104172j

文献信息

• USE OF CYCLOSQUARAMIDE COMPOUNDS AS ANTI-TUMOUR AGENTS
  申请人：Costa Torres Antonio

  公开号：US20110294772A1

  公开（公告）日：2011-12-01

  Use of squaramide-based macrocylic compounds as kinase inhibitor agents and as anti-tumour agents. More specifically, said compounds are used to treat diseases such as cancer, diabetes, neurodegenerative diseases, HIV replication, etc. Furthermore, the present invention likewise relates to pharmaceutical compositions that contain said compounds

  使用基于方酰胺的大环化合物作为激酶抑制剂和抗肿瘤剂。更具体地，所述化合物被用于治疗癌症、糖尿病、神经退行性疾病、HIV复制等疾病。此外，本发明还涉及含有所述化合物的药物组合物。
• Conformational Preferences and Self-Template Macrocyclization of Squaramide-Based Foldable Modules
  作者：M. Carmen Rotger、M. Neus Piña、Antonio Frontera、Gabriel Martorell、Pablo Ballester、Pere M. Deyà、Antoni Costa

  DOI：10.1021/jo035546t

  日期：2004.4.1

  Secondary squaramides have considerable potential as hydrogen bond donors and acceptors. In CHCl3 both, anti- and syn-squaramide rotamers are observed by NMR. The energetic barrier for anti/syn mutual interconversion determined by complete band shape analysis is similar to63 kJ mol(-1). As in proline derivatives, a low rotational barrier is crucial for the design of foldable modules. In this paper, folding based on the low rotational barrier of squaramides is driven by donor atoms (N or O) located in the gamma position of an alkyl chain of a secondary squaramide. We demonstrate that the resulting minimal module exists as a folded conformer through the formation of a nine-membered ring stabilized by intramolecular hydrogen bonding. Molecular mechanics calculations and NMR studies support the existence of these folded conformers. The intramolecularly hydrogen bonded conformers are clearly visible even in CHCl3-EtOH mixtures. Folding occurs even in pure ethanol. As an indirect test, we studied the effectiveness of macrocyclization reactions in pure ethanol that require an effective templating effect to take place. The high yields obtained support the dominant role of a folded conformer even in this solvent.
• A squaramide fluorescent ensemble for monitoring sulfate in water
  作者：Rafel Prohens、Gabriel Martorell、Pablo Ballester、Antoni Costa

  DOI：10.1039/b104172j

  日期：——

  A simple molecular sensor that uses the exclusive quenching and binding abilities of two squaramide units included within an anionic recognition site is proposed for monitoring sulfate in water.

  提出了一种简单的分子传感器，该传感器利用了包含在一个阴离子识别位点内的两个磺酰胺单元独特的猝灭和结合能力，用于监测水中的硫酸盐。