4-(1-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidine-1-carboxylic acid ethyl ester | 612097-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: 4-(1-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidine-1-carboxylic acid ethyl ester
• 英文别名: ethyl 4-(1-butylpyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
• CAS: 612097-99-1
• 化学式: C₁₉H₂₇N₃O₂
• 分子量: 329.442
• InChiKey: REAVZTXTGVGRRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  486.2±45.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(1-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidine-1-carboxylic acid ethyl ester 在 氢氧化钾 作用下， 以 异丙醇 为溶剂， 反应 15.0h， 生成 1-butyl-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
  参考文献：
  名称：

  Synthesis and structure–activity relationships of piperidinylpyrrolopyridine derivatives as potent and selective H1 antagonists

  摘要：

  The synthesis and structure-activity relationships of piperidinylpyrrolopyridines as potent and selective HI antagonists are discussed. It was found that the nature of the acid chain bonded to piperidine was a key feature for maintaining both the duration of action in vivo and lack of sedative properties. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.008
• 作为产物：
  描述：

  7-氮杂吲哚 在 platinum(IV) oxide 氢氧化钾 、 氢气 、 sodium hydride 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 25.0~60.0 ℃ 、206.84 kPa 条件下， 反应 16.0h， 生成 4-(1-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-piperidine-1-carboxylic acid ethyl ester
  参考文献：
  名称：

  Synthesis and structure–activity relationships of piperidinylpyrrolopyridine derivatives as potent and selective H1 antagonists

  摘要：

  The synthesis and structure-activity relationships of piperidinylpyrrolopyridines as potent and selective HI antagonists are discussed. It was found that the nature of the acid chain bonded to piperidine was a key feature for maintaining both the duration of action in vivo and lack of sedative properties. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.12.008

文献信息

• [EN] AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS<br/>[FR] DERIVES D'AZAINDOLYLPIPERIDINE COMME AGENTS ANTIHISTAMINIQUES ET ANTIALLERGIQUES
  申请人：ALMIRALL PRODESFARMA SA

  公开号：WO2003082867A1

  公开（公告）日：2003-10-09

  This invention is directed to new potent and selective antagonists of H1 histamine receptors having the general formula (I) to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

  这项发明涉及新型H1组胺受体的高效选择性拮抗剂，其具有一般式(I)，以及它们的制备方法；包含它们的药物组合物；以及它们在治疗中的应用。
• Azaindolylpiperidine derivatives as antihistaminic and antiallergic agents
  申请人：Pou Fonquerna Silvia

  公开号：US20050176751A1

  公开（公告）日：2005-08-11

  This invention is directed to selective antagonists of H 1 histamine receptors having the general formula (I); to processes for their preparation; to pharmaceutical compositions comprising them; and to their use in therapy.

  本发明涉及具有一般式（I）的选择性H1组胺受体拮抗剂，其制备过程，包含它们的药物组合物以及它们在治疗中的使用。
• AZAINDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS
  申请人：Almirall Prodesfarma, S.A.

  公开号：EP1497292A1

  公开（公告）日：2005-01-19
• US7622480B2
  申请人：——

  公开号：US7622480B2

  公开（公告）日：2009-11-24
• Synthesis and structure–activity relationships of piperidinylpyrrolopyridine derivatives as potent and selective H1 antagonists
  作者：Silvia Fonquerna、Montse Miralpeix、Lluís Pagès、Carles Puig、Arantxa Cardús、Francisca Antón、Dolors Vilella、Mónica Aparici、José Prieto、Graham Warrellow、Jorge Beleta、Hamish Ryder

  DOI：10.1016/j.bmcl.2004.12.008

  日期：2005.2

  The synthesis and structure-activity relationships of piperidinylpyrrolopyridines as potent and selective HI antagonists are discussed. It was found that the nature of the acid chain bonded to piperidine was a key feature for maintaining both the duration of action in vivo and lack of sedative properties. (C) 2004 Elsevier Ltd. All rights reserved.