8-quinolinyl sorbate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 8-quinolinyl sorbate
• 英文别名: quinolin-8-yl (2E,4E)-hexa-2,4-dienoate
• 化学式: C₁₅H₁₃NO₂
• 分子量: 239.274
• InChiKey: VWGLDTUCJAKJHS-KHVHPYDTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  山梨酸 在 氯化亚砜 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 8-quinolinyl sorbate
  参考文献：
  名称：

  Narasimhan; Kothawade; Pharande, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 11, p. 2828 - 2834

  摘要：

  DOI：

文献信息

• Quantitative structure–activity relationship studies for prediction of antimicrobial activity of synthesized 2,4-hexadienoic acid derivatives
  作者：Balasubramanian Narasimhan、Vikramjeet Judge、Rakesh Narang、Ruchita Ohlan、Sucheta Ohlan

  DOI：10.1016/j.bmcl.2007.08.037

  日期：2007.11

  series of 2,4-hexadienoic acid derivatives (S(1)-S(42)) has been synthesized and evaluated as antimicrobial agents against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Candida albicans, and Aspergillus niger. Quantitative structure-activity relationship (QSAR) investigation using Hansch analysis was applied to find out correlation between antimicrobial activities with physicochemical properties

  合成了一系列新的2,4-己二酸衍生物（S（1）-S（42）），并将其作为抗金黄色葡萄球菌，枯草芽孢杆菌，大肠杆菌，白色念珠菌和黑曲霉的抗菌剂进行评估。应用Hansch分析法进行定量构效关系（QSAR）研究，以发现抗菌活性与合成化合物的理化性质之间的相关性。各种理化指标和实验确定的不同微生物的最低抑菌浓度值分别用作自变量和因变量。QSAR结果表明，拓扑参数，尤其是分子连接性指数（chi（2），（0）chi（v），（2）chi（v））与抗菌活性2具有总体显着相关性，4-己二酸衍生物。训练集，交叉验证的r（2）和常规r值的统计结果为使用QSAR模型预测具有活性的分子提供了可靠性。
• SORBIC ACID AND DERIVATIVES THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL
  申请人：Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center

  公开号：EP3006023A1

  公开（公告）日：2016-04-13

  Methods and compositions are provided for treating neuropsychiatric disorders such as schizophrenia, depression, attention deficit disorder, mild cognitive impairment, dementia, and bipolar disorder. The methods entail administering to a patient diagnosed as having a neuropsychiatric disorder (e.g., schizophrenia, depression, attention deficit disorder, mild cognitive impairment, dementia bipolar disorder, etc.) or as at risk for a neuropsychiatric disorder a benzoic acid, benzoic acid salt, and/or benzoic acid derivative, and/or a sorbic acid, sorbic acid salt, and/or sorbic acid derivative, in combination with a neuropharmacological agent (e.g., an antipsychotic, an antidepressant, medications for attention deficit and hyperactivity disorder, cognitive impairment, or dementia, etc.) where the benzoic acid, benzoic acid salt, or benzoic acid derivative, and/or a sorbic acid, sorbic acid salt, and/or sorbic acid derivative, is in an amount sufficient to increase the efficacy of the neuropharmacological agent.

  本文提供了治疗神经精神疾病（如精神分裂症、抑郁症、注意力缺陷障碍、轻度认知障碍、痴呆症和双相情感障碍）的方法和组合物。这些方法需要给被诊断为患有神经精神障碍（如精神分裂症、抑郁症、注意力缺陷障碍、轻度认知障碍、痴呆症、双相情感障碍等）或有神经精神障碍风险的患者施用苯甲酸、苯甲酸盐和/或苯甲酸衍生物和/或山梨酸、山梨酸盐和/或山梨酸衍生物，并与神经药剂（如抗精神病药、抗精神病药、抗精神病药、抗精神病药）结合使用、苯甲酸、苯甲酸盐或苯甲酸衍生物和/或山梨酸、山梨酸盐和/或山梨酸衍生物的用量足以提高神经药剂的药效。
• Sorbic and benzoic acid and derivatives thereof enhance the activity of a neuropharmaceutical
  申请人：Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center

  公开号：US10039730B2

  公开（公告）日：2018-08-07

  Methods and compositions are provided for treating neuropsychiatric disorders such as schizophrenia, depression, attention deficit disorder, mild cognitive impairment, dementia, and bipolar disorder. The methods entail administering to a patient diagnosed as having a neuropsychiatric disorder (e.g., schizophrenia, depression, attention deficit disorder, mild cognitive impairment, dementia bipolar disorder, etc.) or as at risk for a neuropsychiatric disorder a benzoic acid, benzoic acid salt, and/or benzoic acid derivative, and/or a sorbic acid, sorbic acid salt, and/or sorbic acid derivative, in combination with a neuropharmacological agent (e.g., an antipsychotic, an antidepressant, medications for attention deficit and hyperactivity disorder, cognitive impairment, or dementia, etc.) where the benzoic acid, benzoic acid salt, or benzoic acid derivative, and/or a sorbic acid, sorbic acid salt, and/or sorbic acid derivative, is in an amount sufficient to increase the efficacy of the neuropharmacological agent.

  本文提供了治疗神经精神疾病（如精神分裂症、抑郁症、注意力缺陷障碍、轻度认知障碍、痴呆症和双相情感障碍）的方法和组合物。这些方法需要给被诊断为患有神经精神障碍（如精神分裂症、抑郁症、注意力缺陷障碍、轻度认知障碍、痴呆症、双相情感障碍等）或有神经精神障碍风险的患者施用苯甲酸、苯甲酸盐和/或苯甲酸衍生物和/或山梨酸、山梨酸盐和/或山梨酸衍生物，并与神经药剂（如抗精神病药、抗精神病药、抗精神病药、抗精神病药）结合使用、其中苯甲酸、苯甲酸盐或苯甲酸衍生物和/或山梨酸、山梨酸盐和/或山梨酸衍生物的用量足以提高神经药剂的药效。
• SORBIC AND BENZOIC ACID AND DERIVATIVES THEREOF ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL
  申请人：Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center

  公开号：EP2389187A1

  公开（公告）日：2011-11-30
• BENZOIC ACID OR SALTS THEREOF TO ENHANCE THE ACTIVITY OF A NEUROPHARMACEUTICAL
  申请人：Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center

  公开号：EP3006024B1

  公开（公告）日：2019-03-20