4,6-bis(6-(acrid-9-yl)pyridin-2-yl)pyrimidine | 714200-04-1

• 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: 4,6-bis(6-(acrid-9-yl)pyridin-2-yl)pyrimidine
• 英文别名: 4,6-bis-(6-(acrid-9-yl)-pyridin-2-yl)-pyrimidine；9,9a(2)-(4,6-Pyrimidinediyldi-6,2-pyridinediyl)bis[acridine]；9-[6-[6-(6-acridin-9-ylpyridin-2-yl)pyrimidin-4-yl]pyridin-2-yl]acridine
• CAS: 714200-04-1
• 化学式: C₄₀H₂₄N₆
• 分子量: 588.671
• InChiKey: MWIYEAQCOBYPCE-UHFFFAOYSA-N

物化性质

• 熔点：
  >260 °C
• 密度：
  1.318±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  46
• 可旋转键数：
  4
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4,6-bis(6-(acrid-9-yl)pyridin-2-yl)pyrimidine 在 Amberlite IRA 400 ion exchange column conditioned with chloride anion 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 6.0h， 生成 9-{6-(6-(6-acridin-9-yl-pyridin-2-yl)-pyrimidin-4-yl)-pyridin-2-yl}-10-methyl-acridinium chloride
  参考文献：
  名称：

  Compositions and methods for treating cancer and other diseases characterized by abnormal cell proliferation

  摘要：

  本发明涉及用于治疗癌症和其他细胞异常增殖疾病的组合物和方法。特别地，本发明涉及某些新型非核苷类药理活性化合物，其改变端粒和端粒酶功能，调节细胞增殖和/或治疗癌症和其他细胞异常增殖疾病。本发明还涉及包含此类化合物的制药组合物，以及在体内外使用此类化合物和组合物来抑制端粒酶，调节细胞增殖，并治疗癌症或抑制肿瘤细胞增殖和治疗其他增殖性疾病的用途。

  公开号：

  US20080119492A1
• 作为产物：
  描述：

  2,6-bis(trimethylstannyl)pyridine 在 bis-triphenylphosphine-palladium(II) chloride 、 四(三苯基膦)钯 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 35.0h， 生成 4,6-bis(6-(acrid-9-yl)pyridin-2-yl)pyrimidine
  参考文献：
  名称：

  Compositions and methods for treating cancer and other diseases characterized by abnormal cell proliferation

  摘要：

  本发明涉及用于治疗癌症和其他细胞异常增殖疾病的组合物和方法。特别地，本发明涉及某些新型非核苷类药理活性化合物，其改变端粒和端粒酶功能，调节细胞增殖和/或治疗癌症和其他细胞异常增殖疾病。本发明还涉及包含此类化合物的制药组合物，以及在体内外使用此类化合物和组合物来抑制端粒酶，调节细胞增殖，并治疗癌症或抑制肿瘤细胞增殖和治疗其他增殖性疾病的用途。

  公开号：

  US20080119492A1

文献信息

• Dynamic Devices. Shape Switching and Substrate Binding in Ion-Controlled Nanomechanical Molecular Tweezers
  作者：Anne Petitjean、Richard G. Khoury、Nathalie Kyritsakas、Jean-Marie Lehn

  DOI：10.1021/ja031915r

  日期：2004.6.1

  As examples of supramolecular devices performing chemical (ionic, molecular) control of binding events and models of related natural systems, two molecular conformational switches are described, which display cation-controlled nanomechanical motion coupled to substrate binding and release. The substrate binding relies on donor/acceptor interactions, provided by intercalation between planar sites located at the extremities of the switching units, whereas cation complexation is responsible for conformational regulation. The terpyridine py-py-py-based receptor is activated toward substrate binding upon complexation of a zinc(II) cation and operates in a two-state process. The replacement of the central pyridine by a 4,6-disubstituted pyridimine as in py-pym-py induces a state reversal and yields a new receptor which binds a substrate in the absence of cation, and releases it when copper(I) is introduced, following a three-step process. These systems represent effector-triggered supramolecular switching devices leading toward multistate nanomechanical chemical systems. These two systems illustrate the use of simple conformational switches in the binding site and allosteric regulation of substrate affinity.
• Compositions and methods for treating cancer and other diseases characterized by abnormal cell proliferation
  申请人：Lehn Jean-Marie

  公开号：US20080119492A1

  公开（公告）日：2008-05-22

  The present invention relates to compositions and methods for treating cancer and other disease states characterized by abnormal cell proliferation. In particular, the present invention relates to certain novel non-nucleoside pharmacologically active compounds that alter telomere and telomerase functions, regulate cell proliferation and/or treat cancer and other diseases characterized by abnormal cell proliferation. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit telomerase, to regulate cell proliferation, and to treat cancer or to inhibit the proliferation of the rumor cells, and to treat other proliferative conditions.

  本发明涉及用于治疗癌症和其他细胞异常增殖疾病的组合物和方法。特别地，本发明涉及某些新型非核苷类药理活性化合物，其改变端粒和端粒酶功能，调节细胞增殖和/或治疗癌症和其他细胞异常增殖疾病。本发明还涉及包含此类化合物的制药组合物，以及在体内外使用此类化合物和组合物来抑制端粒酶，调节细胞增殖，并治疗癌症或抑制肿瘤细胞增殖和治疗其他增殖性疾病的用途。