[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl] benzoate | 905552-90-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: [3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl] benzoate
• CAS: 905552-90-1
• 化学式: C₂₃H₂₆O₃
• 分子量: 350.458
• InChiKey: SHSCJSBWHIISQD-XDJHFCHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl] benzoate 在 氢氧化钾 、 乙醇 、 水 作用下， 以80%的产率得到(E)-3-(3,7-dimethylocta-2,6-dienyloxy)phenol
  参考文献：
  名称：

  WO2006/86372

  摘要：

  公开号：
• 作为产物：
  描述：

  香叶基溴 、 1,3-苯二酚单苯甲酸酯 以50%的产率得到[3-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl] benzoate
  参考文献：
  名称：

  WO2006/86372

  摘要：

  公开号：

文献信息

• Compositions and methods for treatment of neurological symptoms associated with alcohol-withdrawal and for convulsive seizure
  申请人：Roullet Jean-Baptiste

  公开号：US10201510B2

  公开（公告）日：2019-02-12

  Particular aspects of the present invention provide pharmaceutical compositions comprising isoprenoid-based compounds (e.g., farnesol and/or farnesol analogs or derivatives) or dehydroisoprenoid-based compounds, and novel methods for using same in treating (e.g., suppressing): alcohol withdrawal syndrome and associated neurological symptoms (e.g., depression, tremor, anxiety, autonomic hyperactivity (e.g., sweating, increased blood pressure, tachycardia), hallucinations, alcohol withdrawal seizures, delirium tremens (DT), and memory loss); or for treating in treating convulsive seizure (e.g., epileptic seizure, etc.). Particular pharmaceutical compositions and methods comprise the use of at least one compound selected from the group consisting of: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (all-trans farnesol); (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (cis-farnesol); (E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol nerolidol); (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (farnesylamine); (E)-3-(3,7-dimethylocta-2,6-dienyloxy)phenol (geranylresorcinol); (2E,6E)-,7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-ol (trifluorofarnesol); and (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraen-1-ol (all-trans retinol). According to additional aspects, compounds that target and inhibit enzymes that degrade/metabolize/inactivate the disclosed compounds have utility to induce endogenous accumulation thereof to suppress/prevent, e.g., alcohol withdrawal seizures or convulsive seizures.

  本发明的特定方面提供了包含异丙肾上腺素基化合物（如法呢醇和/或法呢醇类似物或衍生物）或脱氢异丙肾上腺素基化合物的药物组合物，以及将其用于治疗（如抑制）以下症状的新方法：酒精戒断综合征及相关神经症状（如抑郁、震颤、焦虑、自主神经活动亢进（如出汗、血压升高、心动过速）、幻觉、酒精戒断发作、震颤性谵妄（DT）、抑郁、震颤、焦虑、自主神经亢进（如出汗、血压升高、心动过速）、幻觉、酒精戒断发作、震颤性谵妄（DT）和记忆丧失）；或用于治疗抽搐性发作（如癫痫发作等）。特定的药物组合物和方法包括使用至少一种选自由以下组成的组的化合物：(2E,6E)-3,7,11-三甲基十二-2,6,10-三烯-1-醇（全反式法尼醇）； (2Z,6E)-3,7,11-三甲基十二-2,6,10-三烯-1-醇（顺式法尼醇）；(E)-3,7,11-三甲基十二-1,6,10-三烯-3-醇橙花醇； (2E,6E)-3,7,11-三甲基十二-2,6,10-三烯-1-胺（法呢醇胺）；(E)-3-(3,7-二甲基辛-2,6-二烯氧基)苯酚（香叶基间苯二酚）； (2E,6E)-,7,11-二甲基-3-(三氟甲基)十二-2,6,10-三烯-1-醇（三氟法呢醇）；和 (2E,4E,6E,8E)-3,7-二甲基-9-(2,6,6-三甲基环己-1-烯基)壬-2,4,6,8-四烯-1-醇（全反式视黄醇）。根据其他方面，靶向和抑制降解/代谢/灭活所公开化合物的酶的化合物可用于诱导其内源性积累，以抑制/预防酒精戒断发作或惊厥发作等。
• Compositions and Methods for Treatment of Neurological Symptoms Associated with Alcohol-Withdrawal and for Consulsive Seizure
  申请人：Roullet Jean-Baptiste

  公开号：US20080286209A1

  公开（公告）日：2008-11-20

  Particular aspects of the present invention provide pharmaceutical compositions comprising isoprenoid-based compounds (e.g., farnesol and/or farnesol analogues or derivatives) or dehydroisoprenoid-based compounds, and novel methods for using same in treating (e.g., suppressing): alcohol withdrawal syndrome and associated neurological symptoms (e.g., depression, tremor, anxiety, autonomic hyperactivity (e.g., sweating, increased blood pressure, tachycardia), hallucinations, alcohol withdrawal seizures, delirium tremens (DT), and memory loss); or for treating in treating convulsive seizure (e.g., epileptic seizure, etc.). Particular pharmaceutical compositions and methods comprise the use of at least one compound selected from the group consisting of: (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (all-trans farnesol); (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol (cis-farnesol); (E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol nerolidol); (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-amine (farnesylamine); (E)-3-(3,7-dimethylocta-2,6-dienyloxy)phenol (geranylresorcinol); (2E,6E)-,7,11-dimethyl-3-(trifluoromethyl)dodeca-2,6,10-trien-1-ol (trifluorofarnesol); and (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraen-1-ol (all-trans retinol). According to additional aspects, compounds that target and inhibit enzymes that degrade/metabolize/inactivate the disclosed compounds have utility to induce endogenous accumulation thereof to suppress/prevent, e.g., alcohol withdrawal seizures or convulsive seizures.
• WO2006/86372
  申请人：——

  公开号：——

  公开（公告）日：——