N-Phthalimidoethyl-3-amino-1-propanol | 183728-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: N-Phthalimidoethyl-3-amino-1-propanol
• 英文别名: 2-[2-(3-hydroxypropylamino)ethyl]isoindole-1,3-dione
• CAS: 183728-25-8
• 化学式: C₁₃H₁₆N₂O₃
• 分子量: 248.282
• InChiKey: NKGQMTQFDLESEP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Phthalimidoethyl-3-amino-1-propanol 在 三乙胺 、 三苯基膦 、 肼 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 18.0h， 生成 (2-aminoethyl)(3-aminooxypropyl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  Solution-Phase Synthesis of Novel Linear Oxyamine Combinatorial Libraries with Antibacterial Activity

  摘要：

  Use of solution phase combinatorial library synthesis led to the discovery of several oxyamine-containing antibacterial compounds. Solution-phase simultaneous addition of meta-substituted benzyl bromides and "fix-last" combinatorial strategies were used to prepare libraries. Additional structure-activity relationship studies were conducted by reductive cleavage of the oxyamine moiety and led to loss of antibacterial activity. Several single compounds were designed and synthesized on the basis of library screening results and were shown to have antibacterial activity.

  DOI：

  10.1021/jo971655u
• 作为产物：
  描述：

  2-[2-[Benzyl(3-hydroxypropyl)amino]ethyl]isoindole-1,3-dione 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 4.0h， 以68%的产率得到N-Phthalimidoethyl-3-amino-1-propanol
  参考文献：
  名称：

  Solution-Phase Synthesis of Novel Linear Oxyamine Combinatorial Libraries with Antibacterial Activity

  摘要：

  Use of solution phase combinatorial library synthesis led to the discovery of several oxyamine-containing antibacterial compounds. Solution-phase simultaneous addition of meta-substituted benzyl bromides and "fix-last" combinatorial strategies were used to prepare libraries. Additional structure-activity relationship studies were conducted by reductive cleavage of the oxyamine moiety and led to loss of antibacterial activity. Several single compounds were designed and synthesized on the basis of library screening results and were shown to have antibacterial activity.

  DOI：

  10.1021/jo971655u

文献信息

• Substituted heterocyclic compounds
  申请人：ISIS Pharmaceuticals, Inc.

  公开号：US06077954A1

  公开（公告）日：2000-06-20

  Novel compounds having the formula: ##STR1## wherein the constituent variables are defined herein. The compounds are constructed to include a central aromatic, aliphatic, or heterocyclic ring system. Attached to the central ring system are two linear groups having nitrogenous moieties that are derivatized with chemical functional groups. The ring system can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring, that may also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the these compounds. In accordance with certain embodiments of the invention, libraries of such compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the libraries.

  具有以下式子的新化合物：##STR1## 其中组成变量在此定义。该化合物被构建为包括一个中心芳香、脂肪族或杂环环系统。连接到中心环系统的是两个具有氮基衍生化学官能团的线性基团。环系统可以包括进一步的氮基官能团，无论是作为环原子还是附着在环上的挂链基团，这些氮基官能团也可以衍生化学官能团。化学官能团的总体赋予这些化合物某些构象和其他性质。根据发明的某些实施例，利用化学官能团和氮基官能团的排列组合来构建复杂度，制备这样的化合物库。
• Nitrogenous macrocyclic compounds
  申请人：Isis Pharmaceuticals, Inc.

  公开号：US06107482A1

  公开（公告）日：2000-08-22

  Novel macrocyclic compounds are constructed to include large cyclic structures that are interrupted by at least one ring system. Each interrupting ring system includes two bridgehead atoms. Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical functional groups. The ring systems can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring. These can also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the macrocyclic compounds. In accordance with certain embodiments of the invention, libraries of such macrocyclic compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the library.

  小说性的大环化合物由大的环状结构构成，其中至少有一个环状系统中断。每个中断的环状系统包括两个桥头原子。桥头原子与一个或多个桥相连，相互连接一个或多个环状系统，从而形成一个大环状结构。每个桥中都有两个或更多的含氮基团，这些基团被化学官能团衍生。环状系统可以包括进一步的含氮基团，可以作为环原子或附着在环上的垂直基团。这些也可以被化学官能团衍生。化学官能团的总体作用使大环状化合物具有某些构象和其他性质。根据发明的某些实施例，利用化学官能团和含氮基团的排列组合来构建复杂性，制备这种大环状化合物的库。
• Compounds having a plurality of nitrogenous substitutents
  申请人：ISIS Pharmaceuticals, Inc.

  公开号：US06329523B1

  公开（公告）日：2001-12-11

  Novel compounds having the formula: wherein the constituent variables are defined herein. The compounds are constructed to include a central aromatic, aliphatic, or heterocyclic ring system. Attached to the central ring system are two linear groups having nitrogenous moieties that are derivatized with chemical functional groups. The ring system can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring, that may also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the these compounds. In accordance with certain embodiments of the invention, libraries of such compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the libraries.

  具有以下公式的新化合物：其中，组成变量在此定义。这些化合物的结构包括一个中心芳香，脂肪或杂环环系统。连接到中心环系统的是两个线性基团，具有氮杂基，这些氮杂基被化学官能团衍生。环系统可以包括进一步的氮杂基，作为环原子或连接到环的悬挂基团上，这些氮杂基也可以被化学官能团衍生。所有化学官能团的总和赋予这些化合物某些构象和其他特性。根据发明的某些实施例，利用化学官能团和氮杂基的排列组合构建复杂性，制备这些化合物的库。
• Compounds having a plurality of nitrogenous substituents
  申请人：ISIS Pharmaceuticals, Inc.

  公开号：US06197965B1

  公开（公告）日：2001-03-06

  Novel compounds are constructed to include a central aromatic, aliphatic, or heterocyclic ring system. Attached to the central ring system are two linear groups having nitrogenous moieties that are derivatized with chemical functional groups. The ring system can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring, that may also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the these compounds. In accordance with certain embodiments of the invention, libraries of such compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the libraries.

  新颖的化合物被构建成包括一个中心芳香、脂肪族或杂环环系统。连接到中心环系统的是两个线性基团，具有氮基团，这些氮基团被衍生出化学官能团。环系统可以包括进一步的氮基团，无论是作为环原子还是附着在环上的垂饰基团，这些氮基团也可以被衍生出化学官能团。化学官能团的总体赋予这些化合物某些构象和其他性质。根据本发明的某些实施例，利用化学官能团和氮基团的排列组合来构建复杂性，制备这种化合物的库。
• Methods for processing chemical compounds having reactive functional groups
  申请人：Cook Phillip Dan

  公开号：US06942966B1

  公开（公告）日：2005-09-13

  Novel macrocyclic compounds are constructed to include large cyclic structures that are interrupted by at least one ring system. Each interrupting ring system includes two bridgehead atoms. Bridgehead atoms are bonded to one or more bridges that interconnect one or more ring systems thereby forming a large cyclic structure. Located in each bridge are two or more nitrogenous moieties that are derivatized with chemical functional groups. The ring systems can include further nitrogenous moieties, either as ring atoms or on pendant groups attached to the ring. These can also be derivatized with chemical functional groups. The totality of the chemical functional groups imparts certain conformational and other properties to the macrocyclic compounds. In accordance with certain embodiments of the invention, libraries of such macrocyclic compounds are prepared utilizing permutations and combinations of the chemical functional groups and the nitrogenous moieties to build complexity into the library.

  构建了新型的大环化合物，其中包括至少一个环系统中断的大环结构。每个中断的环系统包括两个桥头原子。桥头原子与一个或多个桥连接，相互连接一个或多个环系统，从而形成一个大的环结构。每个桥中都有两个或更多的氮基官能团，这些氮基官能团被衍生化学官能团。环系统可以包括进一步的氮基官能团，可以是环原子或附着在环上的侧链基团。这些也可以被衍生化学官能团。化学官能团的总体影响赋予大环化合物某些构象和其他性质。根据本发明的某些实施例，利用氮基官能团和化学官能团的排列组合制备这种大环化合物的文库，以将复杂性引入文库中。