V405 | 1137989-49-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: V405
• 英文别名: N-(4-chlorophenyl)-6-(isoquinolin-5-yl)pyridine-3-carboxamide N-oxide；N-(4-chlorophenyl)-6-isoquinolin-5-yl-1-oxidopyridin-1-ium-3-carboxamide
• CAS: 1137989-49-1
• 化学式: C₂₁H₁₄ClN₃O₂
• 分子量: 375.814
• InChiKey: GNEWAXVPPPTGAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  V394 在 三氟甲磺酸 、 溶剂黄146 、 双氧水 作用下， 以 水 为溶剂， 以32%的产率得到V405
  参考文献：
  名称：

  Nicotinamide n-oxide derivatives as vanilloid-1 receptor modulators

  摘要：

  本发明涉及香草酸型受体调节剂，其具有如下公式(I)：其中X选自苯基、萘基、吡啶基、喹啉基或异喹啉基，Y为可选地取代的苯基或吡啶环，还涉及其制备过程及其用于治疗炎症状态的医药用途。

  公开号：

  EP2048133A1

文献信息

• [EN] IN VITRO SCREENING ASSAY FOR THERMONEUTRAL TRPV1 MODULATORS<br/>[FR] TEST DE DÉPISTAGE IN VITRO POUR DES MODULATEURS DE TRPV1 THERMONEUTRES
  申请人：GRUENENTHAL GMBH

  公开号：WO2016180543A1

  公开（公告）日：2016-11-17

  The invention relates to an in vitro screening assay based on electrophysiological recording techniques for identifying thermoneutral TRPV1 modulators comprising a) providing a cell expressing TRPV1, optionally in contact with a suitable concentration of a TRPV1 agonist under suitable conditions, b) providing said cell in contact with a suitable concentration of a TRPV1 modulator and optionally in contact with a TRPV1 agonist, if present in step a), under suitable conditions, c) applying a voltage above +100 mV to the cells of a) and of b), d) measuring the respective current of the cells' membranes of a) and b), and e) determining the change of the value of b) compared to the value of a), whereby in the presence of a TRPV1 agonist a residual current of 5 to 50% of b) relative to a) is indicative of a TRPV1 modulator being thermoneutral, and whereby in the absence of a TRPV1 agonist the indication of a TRPV1 modulator being thermoneutral is based on the measurement of the deviation of the current of a) relative to b), whereby a deviation in the range of 50% is indicative of a TRPV1 modulator being thermoneutral, as well as to the use of said screening assay for characterizing the thermogenetic properties of a TRPV1 modulator.