5-[3-[3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[3-[3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
• 英文别名: 5-[3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
• 化学式: C₂₈H₂₆N₄O₄S
• 分子量: 514.6
• InChiKey: BLGRDCIMLYXWFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• [EN] TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF<br/>[FR] INHIBITEURS DE SÉCRÉTION DE TYPE III, LEURS ANALOGUES ET UTILISATION DE CEUX-CI
  申请人：UNIV MASSACHUSETTS

  公开号：WO2009145829A1

  公开（公告）日：2009-12-03

  The invention, in some aspects, relates to compounds and compositions useful for inhibiting Type III secretion systems in pathogenic bacteria, such as Yersinia Pestis. In some aspects, the invention relates to methods for discovering inhibitors of the Type III secretion system and uses of such inhibitors in the treatment and prevention of disease.

  这项发明在某些方面涉及到对病原细菌中的III型分泌系统（如鼠疫耶尔森氏菌）进行抑制的化合物和组合物，该发明在某些方面涉及到发现III型分泌系统抑制剂的方法以及这些抑制剂在治疗和预防疾病中的用途。
• TYPE III SECRETION INHIBITORS, ANALOGS AND USES THEREOF
  申请人：University of Massachusetts

  公开号：US20140323483A1

  公开（公告）日：2014-10-30

  The invention, in some aspects, relates to compounds and compositions useful for inhibiting Type III secretion systems in pathogenic bacteria, such as Yersinia Pestis . In some aspects, the invention relates to methods for discovering inhibitors of the Type III secretion system and uses of such inhibitors in the treatment and prevention of disease.

  该发明在某些方面与化合物和组合物有关，这些化合物和组合物可用于抑制病原细菌（如鼠疫耶尔森氏菌）中的第三型分泌系统。在某些方面，该发明涉及发现第三型分泌系统抑制剂的方法以及这些抑制剂在疾病的治疗和预防中的应用。
• US9340505B2
  申请人：——

  公开号：US9340505B2

  公开（公告）日：2016-05-17
• [EN] TYPE III SECRETION INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE SÉCRÉTION DE TYPE III ET LEURS UTILISATIONS
  申请人：UNIV MASSACHUSETTS

  公开号：WO2009061491A2

  公开（公告）日：2009-05-14

  The invention, in some aspects, relates to compounds and compositions useful for inhibiting Type III secretion systems in pathogenic bacteria, such as Yersinia Pestis. In some aspects, the invention relates to methods for discovering inhibitors of the Type III secretion system and uses of such inhibitors in the treatment and prevention of disease.