4-Chlor-2-aethyl-6-aethylphenol | 53346-76-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-Chlor-2-aethyl-6-aethylphenol
• 英文别名: 2,6-diethyl-4-chloro-phenol；2,6-Diaethyl-4-chlor-phenol；5-Chlor-2-oxy-1.3-diaethyl-benzol；Phenol, 4-chloro-2,6-diethyl-；4-chloro-2,6-diethylphenol
• CAS: 53346-76-2
• 化学式: C₁₀H₁₃ClO
• 分子量: 184.666
• InChiKey: OXKBCHQEHIGUDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-Chlor-2-aethyl-6-aethylphenol 在 乙醇 、 sodium 作用下， 生成 2,6-二乙基苯酚
  参考文献：
  名称：

  v. Auwers; Wittig, Chemische Berichte, 1924, vol. 57, p. 1273

  摘要：

  DOI：
• 作为产物：
  描述：

  3'-ethyl-5'-chloro-2'-hydroxy-acetophenone 在 汞 、 锌 盐酸 作用下， 生成 4-Chlor-2-aethyl-6-aethylphenol
  参考文献：
  名称：

  Schroetter; Weuffen; Herudek, Pharmazie, 1974, vol. 29, # 6, p. 374 - 382

  摘要：

  DOI：

文献信息

• BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS
  申请人：Whiteford Jeffery A.

  公开号：US20100016270A1

  公开（公告）日：2010-01-21

  A pharmaceutically active agent, a pharmaceutically active agent carrier and method of use thereof are described. In some embodiments, a system may include a composition. The composition may include one or more bridged polycyclic compounds. At least one of the bridged polycyclic compounds may include at least two cyclic groups, and at least two pharmaceutically active agents may be associated with the bridged polycyclic compound. In some embodiments, one or more bridged polycyclic compounds may be administered to a subject to improve cardiac and/or cardiovascular health. In some embodiments, one or more bridged polycyclic compounds may be administered to a subject to control cholesterol levels.

  本文描述了一种药理活性剂、药理活性剂载体及其使用方法。在某些实施例中，该系统可能包括一种组合物。该组合物可能包括一个或多个桥接多环化合物。其中至少一个桥接多环化合物可能包括至少两个环状基团，并且至少有两种药理活性剂可能与桥接多环化合物相关联。在某些实施例中，可以向受试者施用一个或多个桥接多环化合物以改善心脏和/或心血管健康。在某些实施例中，可以向受试者施用一个或多个桥接多环化合物以控制胆固醇水平。
• Solvent and catalyst-free synthesis, corrosion protection, thermodynamic, MDS and DFT calculation of two environmentally friendly inhibitors: Bis-phosphonic acids
  作者：Louiza Ouksel、Riadh Bourzami、Salah Chafaa、Nadjib Chafai

  DOI：10.1016/j.molstruc.2020.128813

  日期：2020.12

  the Atomic Force Microscopy (AFM). The Density Functional Theory (DFT) with B3LYP as correlation function and 6-31G (p, d) as basis sets were used to determine some theoretical physic-chemical parameters affecting the corrosion inhibition and on the other hand the DFT develop the Frontier Molecular Orbitals (FMOs) and the Molecular Electrostatic Potentials (MEP) and through a discussion was made about

  摘要 采用 2,6-双（羟甲基）-4-甲氧基苯酚或 4-氯-2,6-双（羟甲基）苯酚与亚磷酸三烷基酯的一锅反应，实现了两种双膦酸的无溶剂和无催化剂合成。 . 它们的结构经 1H、13C、31P NMR 和 IR 光谱证实。分子结构已使用 DFT 进行了优化，相关计算的振动频率和 NMR 位移证实了所提出的结构。化学和电化学测试评估了 XC48 钢对 1 M HCl 腐蚀的抑制能力。重量损失（化学一）表明 XC48 钢表面的吸附服从朗缪尔等温线，而极化测量表明抑制过程是混合的，电化学阻抗谱（EIS）的结果证明，随着抑制剂浓度的增加，抑制效率增加。通过原子力显微镜（AFM）分析表面形貌。密度泛函理论 (DFT) 以 B3LYP 作为相关函数和 6-31G (p, d) 作为基组用于确定一些影响腐蚀抑制的理论理化参数，另一方面，DFT 开发了前沿分子轨道(FMO) 和分子静电势 (MEP)，并通
• Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof
  申请人：Paris Daniel

  公开号：US20080058330A1

  公开（公告）日：2008-03-06

  Provided are compounds which can be used in combination for treating diseases associated with a condition associated with cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of compounds which in combination can decrease β-amyloid production and capacitative calcium entry in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of the compounds.

  提供了一些化合物，可以组合使用来治疗与阿尔茨海默病淀粉样蛋白相关的疾病，如阿尔茨海默病。还提供了一种方法，通过给予治疗有效量的化合物组合来减少β-淀粉样蛋白的产生和细胞中的电容性钙离子进入，从而治疗或降低发生β-淀粉样蛋白产生、β-淀粉样蛋白沉积、β-淀粉样蛋白神经毒性（包括tau异常过度磷酸化）和与阿尔茨海默病淀粉样蛋白相关的微胶质病变。此外，还提供了一种方法，通过给予诊断有效量的化合物来诊断动物或人类中与阿尔茨海默病淀粉样蛋白相关的疾病。
• Compounds for inhibiting beta-amyloid production and methods of identifying the compounds
  申请人：Mullan J. Michael

  公开号：US20070037855A1

  公开（公告）日：2007-02-15

  Provided are compounds useful for treating diseases associated with a cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods for screening for such compounds, by measuring capacitative calcium entry in cells which optionally overexpress APP or a fragment thereof. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of compounds which decrease β-amyloid production and capacitative calcium entry in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of compounds which inhibit capacitative calcium entry in cells.

  提供的化合物可用于治疗与阿尔茨海默淀粉样蛋白在大脑中积累有关的疾病，例如阿尔茨海默病。还提供了筛选此类化合物的方法，通过测量细胞中的电容性钙离子进入，其中细胞可以选择性地过度表达APP或其片段。还提供了通过给予治疗有效量的化合物来治疗或降低β-淀粉样蛋白产生、β-淀粉样蛋白沉积、β-淀粉样蛋白神经毒性（包括tau的异常高磷酸化）和与阿尔茨海默淀粉样蛋白在大脑中积累有关的微胶质细胞增生的方法。此外，还提供了通过给动物或人类施用诊断有效量的抑制电容性钙离子进入细胞的化合物来诊断与阿尔茨海默淀粉样蛋白在大脑中积累有关的疾病的方法。
• Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds
  申请人：Mullan Michael J.

  公开号：US20100215735A1

  公开（公告）日：2010-08-26

  Provided are compounds useful for treating diseases associated with a cerebral accumulation of Alzheimer's amyloid, such as Alzheimer's disease. Also provided are methods for screening for such compounds, by measuring capacitative calcium entry in cells which optionally overexpress APP or a fragment thereof. Also provided are methods of treating or reducing the risk of developing β-amyloid production, β-amyloid deposition, β-amyloid neurotoxicity (including abnormal hyperphosphorylation of tau) and microgliosis associated with cerebral accumulation of Alzheimer's amyloid by administering therapeutically effective amounts of compounds which decrease β-amyloid production and capacitative calcium entry in cells. Further provided are methods for diagnosing diseases associated with cerebral accumulation of Alzheimer's amyloid in animals or humans by administering diagnostically effective amounts of compounds which inhibit capacitative calcium entry in cells.

  提供了一些化合物，可用于治疗与阿尔茨海默氏淀粉样物质在大脑中积累有关的疾病，如阿尔茨海默病。还提供了筛选这些化合物的方法，通过测量在细胞中的电容性钙离子进入，这些细胞可以选择性地过表达APP或其片段。还提供了通过给予治疗有效量的化合物来治疗或降低发生β-淀粉样物质产生、β-淀粉样物质沉积、β-淀粉样物质神经毒性（包括tau异常过磷酸化）和与阿尔茨海默氏淀粉样物质在大脑中积累有关的小胶质细胞增生的风险的方法，这些化合物可以减少β-淀粉样物质产生和细胞中的电容性钙离子进入。此外，还提供了通过给动物或人体内给予诊断有效量的化合物来诊断与阿尔茨海默氏淀粉样物质在大脑中积累有关的疾病的方法，这些化合物可以抑制细胞中的电容性钙离子进入。