3-(4-tert-pentyl-phenoxy)-benzoic acid | 74525-53-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4-tert-pentyl-phenoxy)-benzoic acid
• 英文别名: 3-(4-tert-Pentyl-phenoxy)-benzoesaeure；3-[4-(2-Methylbutan-2-yl)phenoxy]benzoic acid
• CAS: 74525-53-4
• 化学式: C₁₈H₂₀O₃
• 分子量: 284.355
• InChiKey: JFXXHIZGJDHSSF-UHFFFAOYSA-N

物化性质

• 熔点：
  134-136 °C
• 沸点：
  418.5±28.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  对叔戊基苯酚 、 间溴苯甲酸 在 sodium hydroxide 、 铜 作用下， 生成 3-(4-tert-pentyl-phenoxy)-benzoic acid
  参考文献：
  名称：

  1-cyanophenyl-3-acylamino-5-pyrazolone couplers for color photography

  摘要：

  公开号：

  US02511231A1

文献信息

• Ligands that target Plasmodium sporozoite binding sites on CD81 and therapeutic methods using them
  申请人：American University In Cairo (AUC)

  公开号：US10548895B2

  公开（公告）日：2020-02-04

  The invention pertains to ligands that bind to CD81 and that inhibit or block Plasmodium attachment to CD81, compositions and methods for preventing, inhibiting or treating infection by Plasmodium and ligands that target a Plasmodium binding site on CD81 and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of Plasmodium binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Plasmodium and pathogens that interact with CD81. By binding to CD81, these molecules can block 1) Plasmodium attachment and entry into cells (infection), especially hepatocytes; 2) block or inhibit inflammatory responses caused by Plasmodium, and 3) block or inhibit the induction of other pathologies associated with Plasmodium infection.

  本发明涉及与 CD81 结合并能抑制或阻断疟原虫附着于 CD81 的配体，用于预防、抑制或治疗疟原虫感染的组合物和方法，以及靶向 CD81 上疟原虫结合位点的配体及其制造和使用方法。CD81 开放构象细胞外大环上的一系列配体结合位点已被确定。几个重要的位点位于通过突变研究确定为疟原虫结合位点的区域。识别这些位点的配体也已确定。将与靶蛋白上不同结构独特位点具有低度或中度亲和力的两种或三种配体连接在一起，可生成与 CD81 靶点具有极高亲和力的小分子配体共轭物。此外，还利用基于片段的药物设计方法设计了混合配体分子，以生成比母体化合物与蛋白质结合更紧密的配体类似物。鉴定和设计与 CD81 结合的化合物组，用于治疗受疟原虫感染的病人和与 CD81 有相互作用的病原体。通过与 CD81 结合，这些分子可以：1）阻止疟原虫附着和进入细胞（感染），特别是肝细胞；2）阻止或抑制疟原虫引起的炎症反应；3）阻止或抑制诱发与疟原虫感染有关的其他病症。
• LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM
  申请人：American University of Cairo

  公开号：US20150328329A1

  公开（公告）日：2015-11-19

  Ligands that target the HCV-E2 binding site and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of E2 binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Hepatitis C virus and other viruses that interact with CD81. By binding to CD81, these molecules can block 1) HCV and other viral entry into cells (infection), 2) inflammatory responses caused by HCV and other viral infections, and 3) the induction of HCV associated cancers.
• LIGANDS THAT TARGET PLASMODIUM SPOROZOITE BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM
  申请人：American University In Cairo (AUC)

  公开号：US20170258792A1

  公开（公告）日：2017-09-14

  The invention pertains to ligands that bind to CD81 and that inhibit or block Plasmodium attachment to CD81, compositions and methods for preventing, inhibiting or treating infection by Plasmodium and ligands that target a Plasmodium binding site on CD81 and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of Plasmodium binding. Ligands that recognize these sites were identified. Linking together two or three ligands that bind with low or moderate affinities to different structurally unique sites on a target protein were used to generate small molecule ligand conjugates that exhibit very high affinities to their CD81 targets. Hybrid ligand molecules were also designed using fragment-based drug design methods to generate analogs of the ligands that bind more tightly to the protein than the parent compounds. Identification and design of groups of compounds that bind to CD81 for use as therapeutics for treating patients infected by Plasmodium and pathogens that interact with CD81. By binding to CD81, these molecules can block 1) Plasmodium attachment and entry into cells (infection), especially hepatocytes; 2) block or inhibit inflammatory responses caused by Plasmodium , and 3) block or inhibit the induction of other pathologies associated with Plasmodium infection.
• [EN] LIGANDS THAT TARGET PLASMODIUM SPOROZOITE BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM<br/>[FR] LIGANDS CIBLANT DES SITES DE LIAISON AU CD81 DU SPOROZOÏTE DU PLASMODIUM ET MÉTHODES THÉRAPEUTIQUES LES UTILISANT
  申请人：AMERICAN UNIVERSITY OF CAIRO AUC

  公开号：WO2015178940A1

  公开（公告）日：2015-11-26

  The invention pertains to ligands that bind to CD81 and that inhibit or block Plasmodium attachment to CD81, compositions and methods for preventing, inhibiting or treating infection by Plasmodium and ligands that target a Plasmodium binding site on CD81 and methods of making and using them. A series of ligand binding sites on the large extracellular loop of the open conformation of CD81 have been identified. Several important sites were located in regions identified by mutational studies to be the site of Plasmodium binding.
• 1-cyanophenyl-3-acylamino-5-pyrazolone couplers for color photography
  申请人：EASTMAN KODAK CO

  公开号：US02511231A1

  公开（公告）日：1950-06-13