2,4-diamino-5-<4-<3-(4''-aminophenyl-4'-sulphonylphenylamino)propoxy>-3,5-dimethoxybenzyl>pyrimidine | 111452-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-diamino-5-<4-<3-(4''-aminophenyl-4'-sulphonylphenylamino)propoxy>-3,5-dimethoxybenzyl>pyrimidine
• 英文别名: 2,4-diamino-5-{4-[3-(4"-aminophenyl-4'-sulphonylphenylamino)propoxy]-3,5-dimethoxybenzyl}pyrimidine；K-130；5-[[4-[3-[4-(4-Aminophenyl)sulfonylanilino]propoxy]-3,5-dimethoxy-phenyl]methyl]pyrimidine-2,4-diamine；5-[[4-[3-[4-(4-aminophenyl)sulfonylanilino]propoxy]-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
• CAS: 111452-88-1
• 化学式: C₂₈H₃₂N₆O₅S
• 分子量: 564.665
• InChiKey: APHUYJDVDCMMIF-UHFFFAOYSA-N

物化性质

• 沸点：
  872.6±75.0 °C(Predicted)
• 密度：
  1.346±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  40
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  186
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  4'-nitro-4-N-tosylaminodiphenyl sulfide 在 Raney Ni (W₂) 氢氧化钾 、 copper(l) iodide 、 硫酸 、 氢气 、 双氧水 、 sodium 、 溶剂黄146 作用下， 以 甲醇 、 乙醇 、 乙二醇甲醚 为溶剂， 25.0~65.0 ℃ 、500.0 kPa 条件下， 反应 16.33h， 生成 2,4-diamino-5-<4-<3-(4''-aminophenyl-4'-sulphonylphenylamino)propoxy>-3,5-dimethoxybenzyl>pyrimidine
  参考文献：
  名称：

  Synthesis of new 2,4-diamino-5-benzylpyrimidines active against various bacterial species

  摘要：

  New inhibitors of mycobacterial dihydrofolate reductase (DHFR) have been developed. These compounds show high inhibitory activities against Gram-negative and mycobacterial DHFR exceeding that for the commercially available DHFR blockers. Amongst these compounds K-130 shows a 100-fold lower MIC against M lufu than the most active derivatives known so far (TMP, BDP). Mycobacterium lufu was used as a model for the non cultivable strain M leprae. K-130 is also very active against other mycobacterial strains. Besides the higher affinity to the isolated enzyme, the increase in lipophilicity favours permeation of the mycobacterial cell wall and is responsible for the high inhibitory power of K-130 against mycobacteria. The lower activity against Gram-negative bacteria (E coli), despite high affinity to the enzyme, is explained by the hydrophilic nature of the outer score of the cell-wall components.

  DOI：

  10.1016/0223-5234(92)90007-n

文献信息

• NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS
  申请人：MetCalf, III Chester A.

  公开号：US20100184649A1

  公开（公告）日：2010-07-22

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物，这些化合物的药物组合物以及使用这些化合物作为抗菌化合物的方法。本发明的化合物特别适用于对抗各种细菌，包括耐药菌株。这些化合物可用作抗Clostridium difficile的抗菌剂。
• Novel Lipopeptides as Antibacterial Agents
  申请人：Hill Jason

  公开号：US20090011977A1

  公开（公告）日：2009-01-08

  The present invention relates to novel lipopeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel lipopeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脂肽化合物。本发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明还涉及生产这些新型脂肽化合物的方法以及用于生产这些化合物的中间体。
• Novel antibacterial agents for the treatment of GRAM positive infections
  申请人：Cubist Pharmaceuticals, Inc.

  公开号：EP2674437A1

  公开（公告）日：2013-12-18

  The present invention relates to novel lipopeptide compounds, pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The compounds of the invention are particularly useful against a variety of bacteria, including resistant strains. The compounds are useful as antibacterial agents against Clostridium difficile.

  本发明涉及新型脂肽化合物、这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明的化合物特别适用于抗击各种细菌，包括耐药菌株。本发明化合物可用作抗艰难梭菌的抗菌剂。
• Novel lipopeptides as antibacterial agents
  申请人：Hill Jason

  公开号：US20050203006A1

  公开（公告）日：2005-09-15

  The present invention relates to novel lipopeptide compounds. The invention also relates to pharmaceutical compositions of these compounds and methods of using these compounds as antibacterial compounds. The invention also relates to methods of producing these novel lipopeptide compounds and intermediates used in producing these compounds.

  本发明涉及新型脂肽化合物。本发明还涉及这些化合物的药物组合物以及将这些化合物用作抗菌化合物的方法。本发明还涉及生产这些新型脂肽化合物和用于生产这些化合物的中间体的方法。
• US6794490B2
  申请人：——

  公开号：US6794490B2

  公开（公告）日：2004-09-21