2-[(E)-1-(1-Methyl-1H-pyrazol-3-YL)methylidene]-6-[(Z)-1-(1-methyl-1H-pyrazol-3-YL)methylidene]-1-cyclohexanone

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[(E)-1-(1-Methyl-1H-pyrazol-3-YL)methylidene]-6-[(Z)-1-(1-methyl-1H-pyrazol-3-YL)methylidene]-1-cyclohexanone
• 英文别名: (2E,6Z)-2,6-bis[(1-methylpyrazol-3-yl)methylidene]cyclohexan-1-one
• 化学式: C₁₆H₁₈N₄O
• 分子量: 282.34
• InChiKey: YXXZVUPZWDGBRJ-PJABCKPXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  52.7
• 氢给体数：
  0
• 氢受体数：
  3

文献信息

• Inhibitors of the plasmodial surface anion channel as antimalarials
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10881669B2

  公开（公告）日：2021-01-05

  Disclosed are inhibitors of the plasmodial surface anion channel (PSAC) inhibitors and the use thereof in treating or preventing malaria in an animal such as a human, comprising administering an effective amount of an inhibitor or a combination of inhibitors. An example of such an inhibitor is a compound of formula I, or a pharmaceutically acceptable salt thereof, wherein R1 to R7 are as described herein.

  本发明公开了质体表面阴离子通道（PSAC）抑制剂的抑制剂及其在治疗或预防动物（如人类）疟疾中的用途，包括施用有效量的抑制剂或抑制剂组合。这种抑制剂的一个例子是式 I 的化合物、 或其药学上可接受的盐，其中 R1 至 R7 如本文所述。
• INHIBITORS OF THE PLASMODIAL SURFACE ANION CHANNEL AS ANTIMALARIALS
  申请人：The United States Of America, As Represented By The Secretary, Department Of Health And Human Services

  公开号：EP2313100B1

  公开（公告）日：2016-05-11
• US9394316B2
  申请人：——

  公开号：US9394316B2

  公开（公告）日：2016-07-19
• US9974796B2
  申请人：——

  公开号：US9974796B2

  公开（公告）日：2018-05-22
• [EN] INHIBITORS OF THE PLASMODIAL SURFACE ANION CHANNEL AS ANTIMALARIALS<br/>[FR] INHIBITEURS DU CANAL ANIONIQUE DE SURFACE DE PLASMODIUM EN TANT QU'ANTIPALUDIQUES
  申请人：US HEALTH

  公开号：WO2010011537A1

  公开（公告）日：2010-01-28

  Disclosed are inhibitors of the plasmodial surface anion channel (PSAC) inhibitors and the use thereof in treating or preventing malaria in an animal such as a human, comprising administering an effective amount of an inhibitor or a combination of inhibitors. An example of such an inhibitor is a compound of formula I, Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 to R7 are as described herein.