1-(2,4-Difluorophenyl)-2,2-difluoro-2-[5-[2-(4-methoxyphenyl)ethynyl]pyridin-2-yl]-1-pyrimidin-5-ylethanol | 1581280-57-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(2,4-Difluorophenyl)-2,2-difluoro-2-[5-[2-(4-methoxyphenyl)ethynyl]pyridin-2-yl]-1-pyrimidin-5-ylethanol
• CAS: 1581280-57-0
• 化学式: C₂₆H₁₇F₄N₃O₂
• 分子量: 479.433
• InChiKey: DXYUHKDRVWBNBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.1
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• [EN] METALLOENZYME INHIBITOR COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE MÉTALLO-ENZYMES
  申请人：DOW AGROSCIENCES LLC

  公开号：WO2014043376A1

  公开（公告）日：2014-03-20

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes. Living organisms have developed tightly regulated processes that specifically import metals, transport them to intracellular storage sites and ultimately transport them to sites of use. One of the most important functions of metals such as zinc and iron in biological systems is to enable the activity of metalloenzymes.

  这项即时发明描述了具有金属酶调节活性的化合物，以及治疗由这些金属酶介导的疾病、紊乱或症状的方法。生物体已经发展出严格调节的过程，专门用于导入金属，将其运送到细胞内储存位置，最终将其运送到使用位置。在生物系统中，金属如锌和铁的最重要功能之一是促进金属酶的活性。
• METALLOENZYME INHIBITOR COMPOUNDS
  申请人：DOW AGROSCIENCES LLC

  公开号：US20150246898A1

  公开（公告）日：2015-09-03

  The instant invention describes compounds having metalloenzyme modulating activity, and methods of treating diseases, disorders or symptoms thereof mediated by such metalloenzymes. Living organisms have developed tightly regulated processes that specifically import metals, transport them to intracellular storage sites and ultimately transport them to sites of use. One of the most important functions of metals such as zinc and iron in biological systems is to enable the activity of metalloenzymes.

  本发明描述了具有金属酶调节活性的化合物，并且提供了通过调节这些金属酶治疗由这些金属酶介导的疾病、疾病症状或障碍的方法。生物体已经发展出严格调节的过程，专门导入金属，将它们运输到细胞内储存位点，最终将它们运输到使用位点。在生物系统中，锌和铁等金属的最重要功能之一是使金属酶的活性得以发挥。