1-[3,5-双(三氟甲基)苯基]-3-[2,4-二溴-6-(2H-四唑-5-基)苯基]脲 | 426834-69-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-[3,5-双(三氟甲基)苯基]-3-[2,4-二溴-6-(2H-四唑-5-基)苯基]脲
• 中文别名: N-[3,5-双(三氟甲基)苯基]-N'-[2,4-二溴-6-(2H-四唑-5-基)苯基]脲
• 英文名称: 1-[2,4-dibromo-6-(1H-tetrazol-5-yl)phenyl]-3-(3,5-bis(trifluoromethyl)phenyl)urea
• 英文别名: N-[3,5-bis(trifluoromethyl)phenyl]-N′-[2,4-dibromo-6-(1H-tetrazol-5-yl)phenyl]urea；NS5806；N-(3,5-bis(trifluoromethyl)phenyl)-N'-[2,4-dibromo-6-(1H-tetrazol-5-yl)phenyl]-urea；1-[3,5-bis(trifluoromethyl)phenyl]-3-[2,4-dibromo-6-(2H-tetrazol-5-yl)phenyl]urea
• CAS: 426834-69-7
• 化学式: C₁₆H₈Br₂F₆N₆O
• 分子量: 574.078
• InChiKey: UZWJWROOLOOCPQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.962±0.06 g/cm3(Predicted)
• 溶解度：
  二甲基亚砜：>30mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.6
• 氢给体数：
  3
• 氢受体数：
  10

制备方法与用途

生物活性

NS5806 是一种有效的钾电流激活剂，能够增加 KV4.3/KChIP2 峰值电流幅度，EC50 为 5.3 μM。此外，它会在包含 KChIP2 的通道复合体中降低 KV4.3 和 KV4.2 电流的衰减。

靶点

• IC50: 5.3 nM (KV4.3)

体外研究

• NS5806 在浓度依赖性地诱导 KV4.3/KChIP2/DPP6 峰值电流幅度增加（65%），其 EC50 值为 25.4 μM，在 CHO-K1 细胞中。
• NS5806 激活犬类瞬时外向钾电流 (Ito)，IC50 为 40.7 nM，分别在兔子中抑制和刺激的 EC50 值为 1.6 nM。
• 在兔心脏中，NS5806（10-100 nM）具有浓度依赖性地影响心室和房室 Ito 的效果。

反应信息

• 作为产物：
  描述：

  2-氨基-3,5-二溴苯腈 在 叠氮基三甲基硅烷 、 四丁基氟化铵 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 14.0h， 生成 1-[3,5-双(三氟甲基)苯基]-3-[2,4-二溴-6-(2H-四唑-5-基)苯基]脲
  参考文献：
  名称：

  植物のカリウムイオン輸送体の機能制御剤及び植物の育成方法

  摘要：

  【课题】筛选具有针对植物运输体的功能调控活性的二苯基尿素化合物诱导剂，并提供植物钾离子运输体的功能调控剂，以及提供使用该植物钾离子运输体功能调控剂施用于植物的改良植物体的培养方法。 【解决方案】包含以下一般式（1）（式中的符号如说明书所述）所示的化合物诱导剂（NS5806类）的植物钾离子运输体的功能调控剂，以及使用所述功能调控剂施用于植物的植物培养方法。 【选择图】无

  公开号：

  JP2019137678A

文献信息

• Effect of the Ito activator NS5806 on cloned Kv4 channels depends on the accessory protein KChIP2
  作者：A Lundby、T Jespersen、N Schmitt、M Grunnet、S-P Olesen、JM Cordeiro、K Calloe

  DOI：10.1111/j.1476-5381.2010.00859.x

  日期：2010.8

  BACKGROUND AND PURPOSEThe compound NS5806 increases the transient outward current (Ito) in canine ventricular cardiomyocytes and slows current decay. In human and canine ventricle, Ito is thought to be mediated by KV4.3 and various ancillary proteins, yet, the exact subunit composition of Ito channels is still debated. Here we characterize the effect of NS5806 on heterologously expressed putative Ito channel subunits and other potassium channels.EXPERIMENTAL APPROACHCloned KV4 channels were co‐expressed with KChIP2, DPP6, DPP10, KCNE2, KCNE3 and KV1.4 in Xenopus laevis oocytes or CHO‐K1 cells.KEY RESULTSNS5806 increased KV4.3/KChIP2 peak current amplitudes with an EC50 of 5.3 ± 1.5µM and significantly slowed current decay. KCNE2, KCNE3, DPP6 and DPP10 modulated KV4.3 currents and the response to NS5806, but current decay was slowed only in complexes containing KChIP2. The effect of NS5806 on KV4.2 was similar to that on KV4.3, and current decay was only slowed in presence of KChIP2. However, for KV4.1, the slowing of current decay by NS5806 was independent of KChIP2. KV1.4 was strongly inhibited by 10 µM NS5806 and KV1.5 was inhibited to a smaller extent. Effects of NS5806 on kinetics of currents generated by KV4.3/KChIP2/DPP6 with KV1.4 in oocytes could reproduce those on cardiac Ito in canine ventricular myocytes. KV7.1, KV11.1 and Kir2 currents were unaffected by NS5806.CONCLUSION AND IMPLICATIONSNS5806 modulated KV4 channel gating depending on the presence of KChIP2, suggesting that NS5806 can potentially be used to address the molecular composition as well as the physiological role of cardiac Ito.
• METHODS OF TREATING NEUROPSYCHIATRIC DISORDERS
  申请人：University of Rochester

  公开号：EP3621434A2

  公开（公告）日：2020-03-18
• [EN] METHODS OF TREATING NEUROPSYCHIATRIC DISORDERS<br/>[FR] MÉTHODES DE TRAITEMENT DE TROUBLES NEUROPSYCHIATRIQUES
  申请人：UNIV ROCHESTER

  公开号：WO2018209022A2

  公开（公告）日：2018-11-15

  The present disclosure is directed to a method of treating a neuropsychiatric disorder. This method involves selecting a subject having the neuropsychiatric disorder and administering to the selected subject a preparation of glial progenitor cells at a dosage effective to treat the neuropsychiatric disorder in the subject. Another aspect of the disclosure is directed to a method of treating a neuropsychiatric disorder that includes selecting a subject having the neuropsychiatric disorder and administering, to the selected subject, a potassium (K+) channel activator at a dosage effective to restore normal brain interstitial glial K+ levels in the selected subject and treat the neuropsychiatric disorder is also disclosed.