Trifluoro-methanesulfonic acid 11-benzyl-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl ester | 248276-30-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: Trifluoro-methanesulfonic acid 11-benzyl-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl ester
• 英文别名: trifluoromethanesulfonic acid-11-benzyl-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl ester；(11-Benzyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl) trifluoromethanesulfonate
• CAS: 248276-30-4
• 化学式: C₂₀H₂₀F₃NO₃S
• 分子量: 411.445
• InChiKey: MRLKQBTUVYSMFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 11-benzyl-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl ester 在 palladium dihydroxide 四(三苯基膦)钯 、 甲酸铵 、 potassium acetate 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 22.0h， 生成 5-Phenyl-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036
• 作为产物：
  描述：

  Trifluoro-methanesulfonic acid 2-(cyclopent-3-enecarbonyl)-4-methoxy-phenyl ester 在 palladium diacetate 吡啶 、 氢氧化钾 、 sodium periodate 、 四氧化锇 、 (CH₂)5NCH₃O 、 Ph₃P(CH₂)3PPh₃ 、 氢溴酸 、 potassium acetate 、 三乙酰氧基硼氢化钠 、 乙二醇 、 三乙胺 、 肼 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 2.0h， 生成 Trifluoro-methanesulfonic acid 11-benzyl-11-aza-tricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-yl ester
  参考文献：
  名称：

  In pursuit of α4β2 nicotinic receptor partial agonists for smoking cessation: Carbon analogs of (−)-cytisine

  摘要：

  The preparation and biological activity of analogs of (-)-cytisine, an alpha 4 beta 2 nicotinic receptor partial agonist, are discussed. All-carbon-containing phenyl ring replacements of the pyridone ring system, generated via Heck cyclization protocols, exhibited weaker affinity and lower efficacy partial agonist profiles relative to (-)-cytisine. In vivo, selected compounds exhibit lower efficacy partial agonist profiles than that of (-)-cytisine. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.036

文献信息

• Aryl fused azapolycyclic compounds
  申请人：Pfizer Inc.

  公开号：US06462035B1

  公开（公告）日：2002-10-08

  The present invention relates to compounds of formula (I) and their pharmaceutically acceptable salts, wherein R1, R2, R3 and Z are as defined herein, intermediates in the synthesis of such compounds, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of neurological and psychological disorders.

  本发明涉及式(I)的化合物及其药用盐，其中R1、R2、R3和Z如本文所定义，在合成这类化合物的中间体，含有这类化合物的药物组合物以及使用这类化合物治疗神经和心理障碍的方法。
• Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome
  申请人：Pfizer Inc.

  公开号：US20030134844A1

  公开（公告）日：2003-07-17

  This invention relates to the use of nicotinic acetylcholine receptor agonists for the treatment of restless legs syndrome (RLS). The invention further relates to the use of a nicotinic acetylcholine receptor agonist in the manufacture of a medicament for the treatment of RLS. The present invention also relates to a pharmaceutical composition for the treatment of RLS containing a nicotinic acetylcholine receptor agonist.

  这项发明涉及尼古丁型乙酰胆碱受体激动剂用于治疗不安腿综合征（RLS）。该发明还涉及尼古丁型乙酰胆碱受体激动剂在制造治疗RLS药物中的应用。本发明还涉及一种含有尼古丁型乙酰胆碱受体激动剂的治疗RLS的药物组合物。
• Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome
  申请人：Saltarelli D. Mario

  公开号：US20050250806A1

  公开（公告）日：2005-11-10

  This invention relates to the use of nicotinic acetylcholine receptor agonists for the treatment of restless legs syndrome (RLS). The invention further relates to the use of a nicotinic acetylcholine receptor agonist in the manufacture of a medicament for the treatment of RLS. The present invention also relates to a pharmaceutical composition for the treatment of RLS containing a nicotinic acetylcholine receptor agonist.

  本发明涉及使用烟碱乙酰胆碱受体激动剂治疗不宁腿综合征（RLS）。本发明还涉及使用烟碱乙酰胆碱受体激动剂制造治疗 RLS 的药物。本发明还涉及一种含有烟碱乙酰胆碱受体激动剂的治疗 RLS 的药物组合物。
• ARYL FUSED AZAPOLYCYCLIC COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1076650B1

  公开（公告）日：2004-02-04
• NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS IN THE TREATMENT OF RESTLESS LEGS SYNDROME
  申请人：Pfizer Products Inc.

  公开号：EP1439836A1

  公开（公告）日：2004-07-28