(2-碘苯基)(1-戊基-1H-吲哚-3-基)甲酮 | 335160-91-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: (2-碘苯基)(1-戊基-1H-吲哚-3-基)甲酮
• 英文名称: AM-679
• 英文别名: (2-iodophenyl)(1-pentyl-1H-indol-3-yl)methanone；1-Pentyl-3-(2-iodobenzoyl)indole；(2-iodophenyl)-(1-pentylindol-3-yl)methanone
• CAS: 335160-91-3
• 化学式: C₂₀H₂₀INO
• 分子量: 417.289
• InChiKey: GAJBHYUAJOTAEW-UHFFFAOYSA-N

物化性质

• 溶解度：
  DMSO:57.0(最大浓度 mg/mL);136.6(最大浓度 mM)DMF:10.0(最大浓度 mg/mL);23.96(最大浓度 mM)乙醇:10.0(最大浓度 mg/mL);23.96(最大浓度 mM)

计算性质

• 辛醇/水分配系数(LogP)：
  5.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-溴戊烷 在 二甲基氯化铝 、 sodium hydride 作用下， 以 正己烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.5h， 生成 (2-碘苯基)(1-戊基-1H-吲哚-3-基)甲酮
  参考文献：
  名称：

  广泛中和合成大麻素疫苗

  摘要：

  合成大麻素 (SC) 是构成主要公共卫生风险的精神活性物质的重要组成部分。由于 SCs 种类繁多，主动免疫产生的广泛中和抗体提供了一种有趣的途径来对抗大麻素使用障碍。在这里，我们探讨了针对两类 SCs 的抗体亲和力和交叉反应性的半抗原设计。在筛选的 10 个半抗原中，3 个疫苗组显示亚微摩尔 IC 50，每个针对我们的 22 种药物中的 5-6 种化合物。此外，当通过电子烟或腹腔注射给药时，SCs 被成功隔离，这在动物模型中通过观察运动、体温和药代动力学得到证实。我们还发现了通过混合疫苗方法同时减弱两种药物类别的协同效应。总的来说，我们的研究为开发针对 SCs 的疫苗提供了全面的基础。

  DOI：

  10.1021/jacsau.0c00057

文献信息

• Use of flap inhibitors to reduce neuroinflammation mediated injury in the central nervous system
  申请人：Heidenreich Kim A.

  公开号：US10080748B2

  公开（公告）日：2018-09-25

  The present invention provides methods of attenuating or preventing brain injury mediated damage in the central nervous system by attenuating or preventing leukotriene-mediated events following a brain injury or long-term neuroinflammation after brain injury, in Alzheimer's disease, multiple sclerosis, stroke, and post-traumatic stress disorder. The methods comprise administering at least one 5-lipoxygenase activating protein (FLAP) inhibitor either before or after the brain injury. The method finds use in the treatment of traumatic brain injury (TBI), stroke, multiple sclerosis, Alzheimer's disease, post-traumatic stress disorder and other brain injuries associated with production of leukotrienes in the central nervous system. Preferably the FLAP inhibitor is administered intranasally and preferably for certain high risk individuals prophylactically prior to any potential brain injury event.

  本发明提供了在阿尔茨海默病、多发性硬化症、中风和创伤后应激障碍中，通过减轻或预防脑损伤后或脑损伤后长期神经炎症后白三烯介导的事件，减轻或预防脑损伤介导的中枢神经系统损伤的方法。这些方法包括在脑损伤之前或之后施用至少一种 5-脂氧合酶活化蛋白（FLAP）抑制剂。该方法可用于治疗创伤性脑损伤（TBI）、中风、多发性硬化症、阿尔茨海默病、创伤后应激障碍和其他与中枢神经系统白三烯生成有关的脑损伤。FLAP抑制剂最好经鼻给药，对于某些高危人群，最好在任何潜在脑损伤事件发生前进行预防性给药。
• USE OF FLAP INHIBITORS TO REDUCE NEUROINFLAMMATION MEDIATED INJURY IN THE CENTRAL NERVOUS SYSTEM
  申请人：Bioscience Pharma Partners, LLC

  公开号：EP3102209B1

  公开（公告）日：2021-04-07
• Use Of Flap Inhibitors To Reduce Neuroinflammation Mediated Injury In The Central Nervous System
  申请人：Heidenreich Kim A.

  公开号：US20150216854A1

  公开（公告）日：2015-08-06

  The present invention provides methods of attenuating or preventing brain injury mediated damage in the central nervous system by attenuating or preventing leukotriene-mediated events following a brain injury or long-term neuroinflammation after brain injury, in Alzheimer's disease, multiple sclerosis, stroke, and post-traumatic stress disorder. The methods comprise administering at least one 5-lipoxygenase activating protein (FLAP) inhibitor either before or after the brain injury. The method finds use in the treatment of traumatic brain injury (TBI), stroke, multiple sclerosis, Alzheimer's disease, post-traumatic stress disorder and other brain injuries associated with production of leukotrienes in the central nervous system. Preferably the FLAP inhibitor is administered intranasally and preferably for certain high risk individuals prophylactically prior to any potential brain injury event.
• [EN] USE OF FLAP INHIBITORS TO REDUCE NEUROINFLAMMATION MEDIATED INJURY IN THE CENTRAL NERVOUS SYSTEM<br/>[FR] UTILISATION D'INHIBITEURS DE FLAP POUR RÉDUIRE UNE LÉSION MEDIÉE PAR UNE NEURO-INFLAMMATION DANS LE SYSTÈME NERVEUX CENTRAL
  申请人：BIOSCIENCE PHARMA PARTNERS LLC

  公开号：WO2015120038A1

  公开（公告）日：2015-08-13

  The present invention provides methods of attenuating or preventing brain injury mediated damage in the central nervous system by attenuating or preventing leukotriene-rnediated events following a brain injury or long-term neuroinflammation after brain injury, in Alzheimer's disease, multiple sclerosis, stroke, and post-traumatic stress disorder. The methods comprise administering at least one 5-lipoxygenase activating protein (FLAP) inhibitor either before or after the brain Injury. The method finds use in the treatment of traumatic brain injury (TBI), stroke, multiple sclerosis, Alzheimer's disease, post-traumatic stress disorder and other brain injuries associated with production of leukotrienes in the central nervous system. Preferably die FLAP inhibitor is administered intranasally and preferably for certain high risk individuals prophylactically prior to any potential brain injury event.