6-氟-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶 | 1001070-29-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-氟-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶
• 英文名称: 1-benzenesulfonyl-6-fluoro-1H-pyrrolo[2,3-b]pyridine
• 英文别名: 1H-Pyrrolo[2,3-B]pyridine, 6-fluoro-1-(phenylsulfonyl)-；1-(benzenesulfonyl)-6-fluoropyrrolo[2,3-b]pyridine
• CAS: 1001070-29-6
• 化学式: C₁₃H₉FN₂O₂S
• 分子量: 276.291
• InChiKey: WQQSJBPDCSBOIG-UHFFFAOYSA-N

物化性质

• 沸点：
  471.6±48.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  60.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-氟-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶 、 (S)-4,5,6-四氢-3H-吡咯并[1,2-c]乙二唑1,1-二氧化物 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  7-Azaindole derivatives as potential partial nicotinic agonists

  摘要：

  We have investigated a series of 7-azaindoles as potential partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor (nAChR). Three series of 7-azaindole derivatives have been synthesized and evaluated for rat brain neuronal nicotinic receptor affinity and functional activity. Compound (+)-51 exhibited the most potent nAChR binding (K-i = 10 nM). Compound 30A demonstrated both moderate binding affinity and partial agonist potency, thus representing a promising lead for the indications of cognition and smoking cessation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.101
• 作为产物：
  描述：

  6-氟-7-氮杂吲哚 、 苯磺酰氯 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以89%的产率得到6-氟-1-苯磺酰基-1H-吡咯并[2,3-b]吡啶
  参考文献：
  名称：

  7-Azaindole derivatives as potential partial nicotinic agonists

  摘要：

  We have investigated a series of 7-azaindoles as potential partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor (nAChR). Three series of 7-azaindole derivatives have been synthesized and evaluated for rat brain neuronal nicotinic receptor affinity and functional activity. Compound (+)-51 exhibited the most potent nAChR binding (K-i = 10 nM). Compound 30A demonstrated both moderate binding affinity and partial agonist potency, thus representing a promising lead for the indications of cognition and smoking cessation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.101

文献信息

• COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US20190211011A1

  公开（公告）日：2019-07-11

  The invention relates to compounds of formula (II) for using in imaging and particularly for the diagnosis of neurodegenerative diseases

  该发明涉及公式（II）的化合物，用于影像学，特别是用于诊断神经退行性疾病。
• AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYL-CHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION
  申请人：STOIT Axel

  公开号：US20080009514A1

  公开（公告）日：2008-01-10

  Azaindole derivatives of formula (I): wherein the symbols have the meanings given in the specification, are described. These compounds have a combination of partial nicotinic acetylcholine receptor agonism and dopamine reuptake inhibition. The invention also relates to pharmaceutical compositions containing these compounds, to methods for preparing them, methods for preparing novel intermediates useful for their synthesis, methods for preparing compositions, and uses of such compounds and compositions, for example, their use in administering them to patients to achieve a therapeutic effect in disorders in which nicotinic receptors and/or dopamine transporters are involved, or that can be treated via manipulation of those receptors

  阿扎因多ール衍生物的公式（I）如下： 其中符号的含义如说明书中所给。这些化合物具有部分尼古丁乙酰胆碱受体激动作用和去甲肾上腺素再摄取抑制作用。本发明还涉及包含这些化合物的药物组合物，制造它们的方法，制造用于其合成的新的中间体的方法，制造组合物的方法以及这些化合物和组合物的用途，例如，用于将它们施用于患者以在尼古丁受体和/或去甲肾上腺素转运体涉及的疾病中实现治疗效果，或者可以通过操纵这些受体来治疗的疾病。
• Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases
  申请人：CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE

  公开号：US10906900B2

  公开（公告）日：2021-02-02

  The invention relates to compounds of formula (II) for using in imaging and particularly for the diagnosis of neurodegenerative diseases.

  本发明涉及用于成像，特别是用于诊断神经退行性疾病的式 (II) 化合物。
• AZAINDOLE DERIVATIVES WITH A COMBINATION OF PARTIAL NICOTINIC ACETYLCHOLINE RECEPTOR AGONISM AND DOPAMINE REUPTAKE INHIBITION
  申请人：Solvay Pharmaceuticals B.V.

  公开号：EP2041131A1

  公开（公告）日：2009-04-01
• US7964728B2
  申请人：——

  公开号：US7964728B2

  公开（公告）日：2011-06-21