5-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol

• 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-methoxy-2-[5-(4-methylphenyl)-1H-pyrazol-3-yl]phenol
• 英文别名: 5-methoxy-2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]phenol
• 化学式: C₁₇H₁₆N₂O₂
• 分子量: 280.32
• InChiKey: NFMLQXFBDLNCSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  58.1
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• METHODS FOR USE OF SMALL MOLECULE ACTIVATORS OF HEM-Y / PROTOPORPHYRINOGEN OXIDASE (PPO)
  申请人：Vanderbilt University

  公开号：US20160213780A1

  公开（公告）日：2016-07-28

  A method for treating a microbial infection involves administering an effective amount of a compound of the formula: wherein R 1 is H, alkyl, aryl, heteroaryl, R 2 is H, halogen, alkyl, aryl, heteroaryl, R 3 is H, hydroxyl, alkoxy, alkyl, aryl, heteroaryl, amino, amino sulfonyl, acetamide, R 4 is H, hydroxyl, alkoxy, alkyl, aryl, heteroaryl, amino, amino sulfonyl, acetamide, R 5 is H, hydroxyl, alkoxy, alkyl, aryl, heteroaryl, amino, amino sulfonyl, acetamide, R 6 is H, hydroxyl, alkoxy, alkyl, aryl, heteroaryl, amino, amino sulfonyl, acetamide, R 7 is H, hydroxyl, alkoxy, alkyl, aryl, heteroaryl, amino, amino sulfonyl, acetamide, R 8 is —CR 3 , O, S, wherein R 5 and R 6 , R 7 and R 6 , R 5 and R 4 , R 4 and R 3 can cyclize forming a 3-10 member ring comprising C, O, S, and/or N optionally substituted with one or more R 3 ; and administering light therapy, such as a photodynamic therapy (PDT) light source.

  一种治疗微生物感染的方法包括给予一定量的化合物，其化学式为：其中R1为H，烷基，芳基，杂环芳基，R2为H，卤素，烷基，芳基，杂环芳基，R3为H，羟基，烷氧基，烷基，芳基，杂环芳基，氨基，氨基磺酰基，乙酰胺基，R4为H，羟基，烷氧基，烷基，芳基，杂环芳基，氨基，氨基磺酰基，乙酰胺基，R5为H，羟基，烷氧基，烷基，芳基，杂环芳基，氨基，氨基磺酰基，乙酰胺基，R6为H，羟基，烷氧基，烷基，芳基，杂环芳基，氨基，氨基磺酰基，乙酰胺基，R7为H，羟基，烷氧基，烷基，芳基，杂环芳基，氨基，氨基磺酰基，乙酰胺基，R8为—CR3，O，S，其中R5和R6，R7和R6，R5和R4，R4和R3可以环化形成一个由C，O，S和/或N组成的3-10成员环，可选地取代一个或多个R3；并且给予光疗法，例如光动力疗法（PDT）光源。
• ANTIMICROBIAL COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Skaar Eric

  公开号：US20100004324A1

  公开（公告）日：2010-01-07

  In one aspect, the invention relates to compounds and methods useful for activating heme sensor systems; for decreasing virulence of bacteria, for example, Staphylococcus aureus; pharmaceutical compositions comprising the compounds; and methods of treating microbial-related disorders. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS
  申请人：Vanderbilt University

  公开号：US20150174130A1

  公开（公告）日：2015-06-25

  Embodiments of the presently-disclosed subject matter include activators of HssRS that induce endogenous heme biosynthesis by perturbing central metabolism. These molecules are toxic to fermenting S. aureus , including clinically relevant small colony variants (SCVs). The utility of targeting fermenting bacteria is exemplified by the fact that this compound prevents the emergence of antibiotic resistance, enhances phagocyte killing, and reduces S. aureus pathogenesis. This small molecule is a powerful tool not only for studying bacterial heme biosynthesis and central metabolism, but also establishes targeting of fermentation as a viable antibacterial strategy.
• US8263642B2
  申请人：——

  公开号：US8263642B2

  公开（公告）日：2012-09-11
• US9867879B2
  申请人：——

  公开号：US9867879B2

  公开（公告）日：2018-01-16