2-Isopropylmercapto-3-<2-methoxy-phenyl>-4(3H)-chinazolinon | 25477-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-Isopropylmercapto-3-<2-methoxy-phenyl>-4(3H)-chinazolinon
• 英文别名: 2-isopropylsulfanyl-3-(2-methoxy-phenyl)-3H-quinazolin-4-one；3-(2-methoxyphenyl)-2-(propan-2-ylsulfanyl)quinazolin-4(3H)-one；3-(2-methoxyphenyl)-2-propan-2-ylsulfanylquinazolin-4-one
• CAS: 25477-37-6
• 化学式: C₁₈H₁₈N₂O₂S
• 分子量: 326.419
• InChiKey: SQFXPMOHTUXGHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  67.2
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET AND QUINAZOLINONE-BASED INHIBITORS THEREOF
  申请人：Oliver Jason David

  公开号：US20110160231A1

  公开（公告）日：2011-06-30

  A method of identifying an antifungal agent which targets a DHODH protein (alias PyrE, dihydroorotate dehydrogenase, EC: 1.3.99.11) of a fungus comprising contacting a candidate substance with a fungal DHODH protein and determining whether the candidate substance binds or modulates the DHODH protein, wherein binding or modulation indicates that the candidate substance is an antifungal agent. Specific examples concern Aspergillus fumigatus and Candida albicans DHODH proteins. DHODH inhibitors with a Quinazolinone core are also disclosed.

  一种识别靶向真菌DHODH蛋白（别名PyrE，二氢乳酸脱氢酶，EC：1.3.99.11）的抗真菌剂的方法，包括将候选物质与真菌DHODH蛋白接触，并确定候选物质是否结合或调节DHODH蛋白，其中结合或调节表明候选物质是抗真菌剂。具体示例涉及 曲霉菌 和 白念珠菌 DHODH蛋白。还公开了具有喹唑啉酮核心的DHODH抑制剂。
• DIHYDROOROTATE DEHYDROGENASE AS ANTIFUNGAL DRUG TARGET
  申请人：F2G Limited

  公开号：EP2283151B1

  公开（公告）日：2017-03-08
• US9034887B2
  申请人：——

  公开号：US9034887B2

  公开（公告）日：2015-05-19
• [EN] ANTIFUNGAL TARGET<br/>[FR] CIBLE ANTIFONGIQUE
  申请人：F2G LTD

  公开号：WO2009133379A2

  公开（公告）日：2009-11-05

  A method of identifying an antifungal agent which targets a DHODH protein (alias PyrE, dihydroorotate dehydrogenase, EC: 1.3.99.11) of a fungus comprising contacting a candidate substance with a fungal DHODH protein and determining whether the candidate substance binds or modulates the DHODH protein, wherein binding or modulation indicates that the candidate substance is an antifungal agent. Specific examples concern Aspergillus fumigatus and Candida albicans DHODH proteins. DHODH inhibitors with a Quinazolinone core are also disclosed.