1-([1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl)-4-(3-trifluoromethylphenyl)piperazine | 676266-22-1

• 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-methylpyrrol-3-yl]methyl)-4-(3-trifluoromethylphenyl)piperazine
• 英文别名: 1-[[1,5-Bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine；1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
• CAS: 676266-22-1
• 化学式: C₂₉H₂₆Cl₂F₃N₃
• 分子量: 544.447
• InChiKey: IWYWFPBHXCCNKX-UHFFFAOYSA-N

物化性质

• 沸点：
  615.9±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 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：

  聚合甲醛 、 1,3-bis-(4-chlorophenyl)-5-methylpyrrole 、 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 4.0h， 以66.24%的产率得到1-([1,5-bis(4-chlorophenyl)-2-methylpyrrol-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

• 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。
• 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。
• Novel antimycobacterial compounds
  申请人：Lupin Limited

  公开号：EP1857442A2

  公开（公告）日：2007-11-21

  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加成盐，与已知化合物相比，对临床敏感和耐药的结核分枝杆菌菌株具有更强的抗结核活性和更低的毒性。式（I）的新型化合物用于治疗潜伏肺结核，包括耐多药肺结核（MDR TB）。新型化合物的制备方法、含有新型化合物的药物组合物以及通过施用式（I）化合物治疗 MDR TB 的方法。
• US7691837B2
  申请人：——

  公开号：US7691837B2

  公开（公告）日：2010-04-06
• US7763602B2
  申请人：——

  公开号：US7763602B2

  公开（公告）日：2010-07-27