2C-Fluoro-N-hydroxy-6-methoxybenzimidoyl chloride | 929022-10-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2C-Fluoro-N-hydroxy-6-methoxybenzimidoyl chloride
• 英文别名: 2-Fluoro-N-hydroxy-6-methoxybenzimidoyl chloride；2-fluoro-N-hydroxy-6-methoxybenzenecarboximidoyl chloride
• CAS: 929022-10-6
• 化学式: C₈H₇ClFNO₂
• 分子量: 203.6
• InChiKey: OULAERSQSQNWIY-UHFFFAOYSA-N

物化性质

• 沸点：
  313.4±52.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  41.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2C-Fluoro-N-hydroxy-6-methoxybenzimidoyl chloride 在 palladium 10% on activated carbon 、 potassium tert-butylate 、 氢气 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 为溶剂， 生成 2-hydroxyl-6-methoxy-N-(2-methyl-2-phenylpropyl)benzamidine
  参考文献：
  名称：

  Design, synthesis and evaluation of phenethylaminoheterocycles as Kv1.5 inhibitors

  摘要：

  Phenethylaminoheterocycles have been prepared and assayed for inhibition of the K(v)1.5 potassium ion channel as a potential approach to the treatment of atrial fibrillation. A diverse set of heterocycles were identified as potent K(v)1.5 inhibitors and were advanced to pharmacodynamic evaluation based on selectivity and pharmacokinetic profile. Heterocycle optimization and template modification lead to the identification of compound 24 which demonstrated increased atrial effective refractory period in the rabbit pharmacodynamic model with mild effects on blood pressure and heart rate. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.035
• 作为产物：
  描述：

  2-氟-6-甲氧基苯甲醛 在 N-氯代丁二酰亚胺 、 羟胺 、 sodium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 2C-Fluoro-N-hydroxy-6-methoxybenzimidoyl chloride
  参考文献：
  名称：

  Design, synthesis and evaluation of phenethylaminoheterocycles as Kv1.5 inhibitors

  摘要：

  Phenethylaminoheterocycles have been prepared and assayed for inhibition of the K(v)1.5 potassium ion channel as a potential approach to the treatment of atrial fibrillation. A diverse set of heterocycles were identified as potent K(v)1.5 inhibitors and were advanced to pharmacodynamic evaluation based on selectivity and pharmacokinetic profile. Heterocycle optimization and template modification lead to the identification of compound 24 which demonstrated increased atrial effective refractory period in the rabbit pharmacodynamic model with mild effects on blood pressure and heart rate. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.05.035

文献信息

• Benzisoxazoles and Azabenzisoxazoles as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction
  申请人：Conn P. Jeffrey

  公开号：US20130079366A1

  公开（公告）日：2013-03-28

  Benzisoxazole and azabenzisoxazole compounds which are useful as allosteric potentiators/positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4); synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of using the compounds, for example, in treating neurological and psychiatric disorders or other disease state associated with glutamate dysfunction.

  Benzisoxazole和azabenzisoxazole化合物可用作代谢型谷氨酸受体亚型4（mGluR4）的变构势增强剂/正变构调节剂；制备该化合物的合成方法；包含该化合物的药物组成物；以及使用该化合物的方法，例如在治疗神经系统和精神障碍或与谷氨酸功能障碍相关的其他疾病状态中。