1-{[1,5-bis-(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl}-4-(3-trifluoromethylphenyl)piperazine | 676266-91-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-{[1,5-bis-(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl}-4-(3-trifluoromethylphenyl)piperazine
• 英文别名: 1-[[1,5-Bis(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
• CAS: 676266-91-4
• 化学式: C₃₀H₂₈Cl₂F₃N₃
• 分子量: 558.474
• InChiKey: BSJZQLWPHJZQIF-UHFFFAOYSA-N

物化性质

• 沸点：
  618.6±55.0 °C(predicted)
• 密度：
  1.27±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  11.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,2-bis-(4-chlorophenyl)-5-ethylpyrrole 、 聚合甲醛 、 1-(3-三氟甲基苯基)哌嗪 在 溶剂黄146 、 sodium hydroxide 作用下， 以 水 、 乙腈 为溶剂， 反应 3.0h， 以47.22%的产率得到1-{[1,5-bis-(4-chlorophenyl)-2-ethylpyrrol-3-yl]methyl}-4-(3-trifluoromethylphenyl)piperazine
  参考文献：
  名称：

  [EN] PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS
  [FR] DERIVES DE PYRROLE SERVANT DE COMPOSES ANTI-MYCOBACTERIENS

  摘要：

  公式(I)的新型吡咯衍生物及其药学上可接受的酸盐，在临床上对结核分枝杆菌的敏感和耐药菌株具有优越的抗结核活性，且与已知化合物相比具有较低的毒性。利用公式(I)的新型化合物治疗潜伏性结核病，包括多药耐药结核病（MDR TB）。制备新型化合物的方法，含有新型化合物的药物组合物以及通过给予公式(I)化合物治疗MDR TB的方法。

  公开号：

  WO2004026828A1

文献信息

• Diimines and secondary diamines
  申请人：Lee Y. John

  公开号：US20060217567A1

  公开（公告）日：2006-09-28

  This invention provides aromatic diimines which have imino hydrocarbylidene groups with at least two carbon atoms, and aromatic secondary diamines which have amino hydrocarbyl groups with at least two carbon atoms. Both the aromatic diimines and the aromatic secondary diamines either are in the form of one phenyl ring, or are in the form of two phenyl rings connected by an alkylene bridge; each position ortho to an imino group or an amino group bears a hydrocarbyl group. When in the form of one phenyl ring, there are two imino groups on the ring or two amino groups on the ring; the imino groups or amino groups are meta or para relative to each other. When in the form of two phenyl rings connected by an alkylene bridge, there is either one imino group or one amino group on each phenyl ring. Also provided are processes for forming diimines and secondary diamines.

  这项发明提供了具有至少两个碳原子的亚烷基亚胺基团的芳香二亚胺和具有至少两个碳原子的氨基亚烷基团的芳香二胺。这些芳香二亚胺和芳香二胺可以是一个苯环的形式，也可以是由烷基桥连接的两个苯环的形式；每个邻位对着亚烷基基团或氨基基团。当以一个苯环的形式时，环上有两个亚胺基团或两个氨基团；亚胺基团或氨基团互为间位或对位。当以由烷基桥连接的两个苯环的形式时，每个苯环上要么有一个亚胺基团，要么有一个氨基基团。还提供了形成二亚胺和二胺的方法。
• Pyrrole derivatives as antimycobacterial compounds
  申请人：Arora Kumar Sudershan

  公开号：US20050107370A1

  公开（公告）日：2005-05-19

  Novel pyrrole derivatives of formula (I) and their pharmaceutically acceptable acid addition salts having superior antimycobacterial activity against clinically sensitive as well as resistant strains of Mycobacterium tuberculosis as well as having lesser toxicity compared to known compounds. The use of the novel compounds of formula (I) for treatment of latent tuberculosis including Multi Drug Resistant Tuberculosis (MDR TB). The methods for preparation of the novel compounds, pharmaceutical compositions containing the novel compounds and method of treating MDR TB by administration of compounds of formula (I).

  式(I)的新型吡咯衍生物及其药学上可接受的酸盐，具有优异的抗结核杆菌活性，对临床敏感和耐药菌株的Mycobacterium tuberculosis均有效，并且与已知化合物相比具有较小的毒性。使用式(I)的新型化合物治疗潜伏性结核病，包括多重耐药结核病（MDR TB）。制备新型化合物的方法，含有新型化合物的制药组合物以及通过给予式(I)化合物治疗MDR TB的方法。
• DIIMINES AND SECONDARY DIAMINES
  申请人：Lee Y. John

  公开号：US20080033210A1

  公开（公告）日：2008-02-07

  This invention provides aromatic diimines which have imino hydrocarbylidene groups with at least two carbon atoms, and aromatic secondary diamines which have amino hydrocarbyl groups with at least two carbon atoms. Both the aromatic diimines and the aromatic secondary diamines either are in the form of one phenyl ring, or are in the form of two phenyl rings connected by an alkylene bridge; each position ortho to an imino group or an amino group bears a hydrocarbyl group. When in the form of one phenyl ring, there are two imino groups on the ring or two amino groups on the ring; the imino groups or amino groups are meta or para relative to each other. When in the form of two phenyl rings connected by an alkylene bridge, there is either one imino group or one amino group on each phenyl ring. Also provided are processes for forming diimines and secondary diamines.

  本发明提供了具有至少两个碳原子的亚胺烃基亚胺基的芳香族二亚胺和具有至少两个碳原子的氨基烃基氨基的芳香族二级二胺。芳香族二亚胺和芳香族二级二胺均为一个苯环的形式或由一个烷基桥连接的两个苯环的形式；每个对位于亚胺基或氨基的位置都带有一个烃基基团。当为一个苯环的形式时，环上有两个亚胺基或两个氨基；亚胺基或氨基相对于彼此是间位或对位的。当为由一个烷基桥连接的两个苯环的形式时，每个苯环上有一个亚胺基或一个氨基。还提供了形成二亚胺和二级二胺的方法。
• Diimines and Secondary Diamines
  申请人：Lee John Y.

  公开号：US20080194788A1

  公开（公告）日：2008-08-14

  This invention provides aromatic diimines where the diimines have imino groups with at least two carbon atoms, and either are in the form of one benzene ring having two imino groups on the ring, which imino groups are meta or para relative to each other, and in which each position ortho to an imino group bears a hydrocarbyl group, or are in the form of two benzene rings connected by an alkylene bridge and having one imino group on each ring, and in which each position ortho to an imino group bears a hydrocarbyl group. This invention also provides aromatic secondary diamines where the diamines have amino hydrocarbyl groups with at least two carbon atoms, and either are in the form of one benzene ring having two amino groups on the ring, which amino groups are meta or para relative to each other, and in which each position ortho to an amino group bears a hydrocarbyl group, or are in the form of two benzene rings connected by an alkylene bridge and having one amino group on each ring, and in which each position ortho to an amino group bears a hydrocarbyl group. Also provided are processes for forming diimines and secondary diamines from primary diamines, including the aromatic diimines and aromatic secondary diamines of the invention.

  本发明提供了芳香二亚胺，其中二亚胺具有至少两个碳原子的亚胺基，并且可以是具有一个苯环的形式，在该苯环上具有两个亚胺基，这些亚胺基互为间位或对位，并且在每个与亚胺基相邻的位置上带有一个烃基团，或者是由一个烷基桥连接的两个苯环的形式，并且在每个与亚胺基相邻的位置上带有一个烃基团。本发明还提供了芳香二级二胺，其中二胺具有至少两个碳原子的氨基烃基团，并且可以是具有一个苯环的形式，在该苯环上具有两个氨基团，这些氨基团互为间位或对位，并且在每个与氨基团相邻的位置上带有一个烃基团，或者是由一个烷基桥连接的两个苯环的形式，并且在每个与氨基团相邻的位置上带有一个烃基团。本发明还提供了从一级二胺制备二亚胺和二级二胺的方法，包括本发明的芳香二亚胺和芳香二级二胺。
• PYRROLE DERIVATIVES AS ANTIMYCOBACTERIAL COMPOUNDS
  申请人：Arora Sudershan Kumar

  公开号：US20080242676A1

  公开（公告）日：2008-10-02

  Novel pyrrole derivatives of formula (I) and their pharmaceutically acceptable acid addition salts having superior antimycobacterial activity against clinically sensitive as well as resistant strains of Mycobacterium tuberculosis as well as having lesser toxicity compared to known compounds. The use of the novel compounds of formula (I) for treatment of latent tuberculosis including Multi Drug Resistant Tuberculosis (MDR TB). The methods for preparation of the novel compounds, pharmaceutical compositions containing the novel compounds and method of treating MDR TB by administration of compounds of formula (I).

  公式（I）的新型吡咯衍生物及其药学上可接受的酸盐，具有优异的抗结核分枝杆菌活性，可对临床敏感和耐药菌株产生作用，并且与已知化合物相比毒性更小。使用公式（I）的新型化合物治疗潜在结核病，包括多药耐药结核病（MDR TB）。制备新型化合物的方法，含有新型化合物的药物组合物以及通过给予公式（I）化合物治疗MDR TB的方法。