(3R)-3-(2-chlorophenoxy)pyrrolidine | 900572-39-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (3R)-3-(2-chlorophenoxy)pyrrolidine
• CAS: 900572-39-6
• 化学式: C₁₀H₁₂ClNO
• 分子量: 197.664
• InChiKey: APUWIMBTIDIKKZ-MRVPVSSYSA-N

物化性质

• 沸点：
  292.8±30.0 °C(Predicted)
• 密度：
  1.189±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3R)-3-(2-chlorophenoxy)pyrrolidine 、 3-(2,2,2-trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonyl chloride 生成
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071
• 作为产物：
  描述：

  邻氯苯酚 在 三苯基膦 、 三氟乙酸 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 20.0h， 生成 (3R)-3-(2-chlorophenoxy)pyrrolidine
  参考文献：
  名称：

  Discovery of a Series of 6,7-Dimethoxy-4-pyrrolidylquinazoline PDE10A Inhibitors

  摘要：

  A papaverine based pharmacophore model for PDE10A inhibition was generated via SBDD and used to design a library of 4-amino-6,7-dimethoxyquinazolines. From this library emerged an aryl ether pyrrolidyl 6,7-dimethoxyquinazoline series that became the focal point for additional modeling, X-ray, and synthetic efforts toward increasing PDE10A inhibitory potency and selectivity versus PDE3A/B. These efforts culminated in the discovery of 29, a potent and selective brain penetrable inhibitor of PDE10A.

  DOI：

  10.1021/jm060653b

文献信息

• Substituted triazole derivatives as oxytocin antagonists
  申请人：Brown Daniel Alan

  公开号：US20060160786A1

  公开（公告）日：2006-07-20

  The present invention relates to substituted triazoles of formula (I), uses thereof, processes for the preparation thereof and compositions containing said compounds. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction.

  本发明涉及公式（I）的取代三唑化合物，其用途，制备方法以及含有该化合物的组合物。这些抑制剂在包括性功能障碍在内的各种治疗领域具有用途。
• Substituted Triazole Derivatives As Oxytocin Antagonists
  申请人：Brown Alan Daniel

  公开号：US20090253674A1

  公开（公告）日：2009-10-08

  The present invention relates to substituted triazoles of formula (I), uses thereof, processes for the preparation thereof and compositions containing said compounds. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction.

  本发明涉及公式(I)的取代三唑，其用途、制备过程和含有该化合物的组合物。这些抑制剂在包括性功能障碍在内的多种治疗领域中具有实用性。
• Inhibitors of Ion Channels
  申请人：Marron Brian Edward

  公开号：US20130072471A1

  公开（公告）日：2013-03-21

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了在通过抑制电压门控钠通道中的钠离子流来治疗疾病方面有用的化合物、组合物和方法。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻断与所示条件的发生或复发相关的钠通道来实现。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病性或炎症性疼痛。
• SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS
  申请人：Ixchelsis Limited

  公开号：US20150322042A1

  公开（公告）日：2015-11-12

  The present invention relates to substituted triazoles of formula (I), uses thereof, processes for the preparation thereof and compositions containing said compounds. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction.

  本发明涉及式(I)的取代三唑，以及其用途、制备过程和含有该化合物的组合物。这些抑制剂在包括性功能障碍在内的各种治疗领域中具有实用性。
• INHIBITORS OF ION CHANNELS
  申请人：Marron Brian Edward

  公开号：US20090143358A1

  公开（公告）日：2009-06-04

  Compounds, compositions and methods are provided which are useful in the treatment of diseases through the inhibition of sodium ion flux through voltage-gated sodium channels. More particularly, the invention provides substituted aryl sulfonamides, compositions comprising these compounds, as well as methods of using these compounds or compositions in the treatment of central or peripheral nervous system disorders, particularly pain and chronic pain by blocking sodium channels associated with the onset or recurrence of the indicated conditions. The compounds, compositions and methods of the present invention are of particular use for treating neuropathic or inflammatory pain by the inhibition of ion flux through a voltage-gated sodium channel.

  本发明提供了化合物、组合物和方法，通过抑制电压门控钠通道中的钠离子流来治疗疾病。更具体地，本发明提供了取代芳基磺酰胺、包含这些化合物的组合物，以及使用这些化合物或组合物治疗中枢或外周神经系统疾病，特别是疼痛和慢性疼痛的方法，通过阻止与所示疾病的发生或复发有关的钠通道。本发明的化合物、组合物和方法特别适用于通过抑制电压门控钠通道中的离子流来治疗神经病理性或炎症性疼痛。