2,6-bis<<(6-methylpyrid-2-yl)amino>carbonyl>naphthalene | 134418-78-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2,6-bis<<(6-methylpyrid-2-yl)amino>carbonyl>naphthalene
• 英文别名: 2-N,6-N-bis(6-methylpyridin-2-yl)naphthalene-2,6-dicarboxamide
• CAS: 134418-78-3
• 化学式: C₂₄H₂₀N₄O₂
• 分子量: 396.448
• InChiKey: ASXUDTAUFQUBCX-UHFFFAOYSA-N

物化性质

• 沸点：
  489.5±45.0 °C(Predicted)
• 密度：
  1.320±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,6-萘二羧酸 在 草酰氯 、 caesium carbonate 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 22.0h， 生成 2,6-bis<<(6-methylpyrid-2-yl)amino>carbonyl>naphthalene
  参考文献：
  名称：

  Molecular recognition in the solid state: controlled assembly of hydrogen-bonded molecular sheets

  摘要：

  A novel hydrogen-bonding motif for the control of solid-state structures has been developed. The motif is based on the hydrogen bonding complementarity of carboxylic acids with 2-aminopyridine derivatives. Linking two aminopyridine groups through a rigid aromatic spacer provides a receptor unit that can complex dicarboxylic acids. When there is a good correspondence between the length of the spacer and that of the carboxylic acid, a discrete 1:1 complex is formed. When the dicarboxylic acid is longer than the receptor, an alternating hydrogen-bonded cocrystal occurs with the carboxylates on each diacid binding to different receptors. This motif dominates the cocrystal, forming even when the relative lengths of the diacid and the receptor change. Within the constraints of the alternating ribbon structure, the spatial position of the two components can be varied in a well-defined and predictable manner.

  DOI：

  10.1021/ja00024a036

文献信息

• Inhibitors of bacterial IMPDH
  申请人：Charifson Paul

  公开号：US20070191434A1

  公开（公告）日：2007-08-16

  The present invention relates to methods of inhibiting bacterial IMPDH comprising administering compounds of formula I: or pharmaceutically acceptable salts thereof. The present invention also relates to pharmaceutically acceptable compositions comprising said compounds. These compounds, and compositions thereof, are useful in treating bacterial infections.
• US8202889B2
  申请人：——

  公开号：US8202889B2

  公开（公告）日：2012-06-19
• [EN] INHIBITORS OF BACTERIAL IMPDH<br/>[FR] INHIBITEURS D'INOSINE-5'-MONOPHOSPHATE DESHYDROGENASE (IMPDH) BACTERIENNE
  申请人：VERTEX PHARMA

  公开号：WO2007030617A1

  公开（公告）日：2007-03-15

  [EN] The present invention relates to methods of inhibiting bacterial IMPDH comprising administering compounds of formula I: or pharmaceutically acceptable salts thereof. The present invention also relates to pharmaceutically acceptable compositions comprising said compounds. These compounds, and compositions thereof, are useful in treating bacterial infections.
  [FR] Procédés d'inhibition d'IMPDH bactérienne par administration de composés de formule I ou de sels pharmaceutiquement acceptables. Egalement, compositions pharmaceutiquement acceptables renfermant lesdits composés. Les composés et les compositions qui les renferment sont utiles pour le traitement d'infections bactériennes.
• Molecular recognition in the solid state: controlled assembly of hydrogen-bonded molecular sheets
  作者：Fernando Garcia-Tellado、Steven J. Geib、Shyamaprosad Goswami、Andrew D. Hamilton

  DOI：10.1021/ja00024a036

  日期：1991.11

  A novel hydrogen-bonding motif for the control of solid-state structures has been developed. The motif is based on the hydrogen bonding complementarity of carboxylic acids with 2-aminopyridine derivatives. Linking two aminopyridine groups through a rigid aromatic spacer provides a receptor unit that can complex dicarboxylic acids. When there is a good correspondence between the length of the spacer and that of the carboxylic acid, a discrete 1:1 complex is formed. When the dicarboxylic acid is longer than the receptor, an alternating hydrogen-bonded cocrystal occurs with the carboxylates on each diacid binding to different receptors. This motif dominates the cocrystal, forming even when the relative lengths of the diacid and the receptor change. Within the constraints of the alternating ribbon structure, the spatial position of the two components can be varied in a well-defined and predictable manner.