5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
• 英文别名: 5,7,13-Triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
• 化学式: C₁₂H₁₃N₃
• 分子量: 199.255
• InChiKey: SPAMUHJHVULSFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene-13-carboxylic acid tert-butyl ester 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 生成 5,7,13-triazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
  参考文献：
  名称：

  3,5-Bicyclic aryl piperidines: A novel class of α4β2 neuronal nicotinic receptor partial agonists for smoking cessation

  摘要：

  3,5-Bicyclic aryl piperidines are a new class of high-affinity alpha 4 beta 2 nicotinic receptor agents. We have sought nicotinic receptor partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor for smoking cessation, and a number of compounds fulfill potency, selectivity, and efficacy requirements in vitro. In vivo, selected agents demonstrate potent partial agonist efficacy on the mesolimbic doparnine system, a key measure of therapeutic potential for smoking cessation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.035

文献信息

• Process for Preparing Quinoxaline Derivatives
  申请人：SOLDEVILLA MADRID Nuria

  公开号：US20120004239A1

  公开（公告）日：2012-01-05

  The present invention provides an improved process for preparing a compound of formula (IIIA), an intermediate of the synthesis of varenicline. Also, the present invention provides an improved process for preparing varenicline, or a pharmaceutically acceptable salt or solvate thereof. Furthermore, the present invention provides a process for decolorizing varenicline, or a salt or solvate thereof. Still further, the present invention provides a process of preparing varenicline L-tartrate with improved yield. Still further, the present invention relates to the use of compound of formula (V), or a salt or solvate thereof, as a reference marker and reference standard for assessing the purity of varenicline, or a salt or solvate thereof.

  本发明提供了一种改进的制备式（IIIA）化合物的方法，该化合物是瓦伦尼克林合成的中间体。此外，本发明提供了一种改进的制备瓦伦尼克林或其药学上可接受的盐或溶剂的方法。此外，本发明提供了一种脱色瓦伦尼克林或其盐或溶剂的方法。此外，本发明还提供了一种制备瓦伦尼克林-L-酒石酸盐的方法，其收率得到了改善。此外，本发明涉及使用式（V）化合物或其盐或溶剂作为参考标记和参考标准来评估瓦伦尼克林或其盐或溶剂的纯度。
• IMPROVED METHODS FOR THE PREPARATION OF QUINOXALINE DERIVATIVES
  申请人：Medichem, S.A.

  公开号：EP2581375A2

  公开（公告）日：2013-04-17

  The present invention provides an improved method for preparing a compound of formula (IIIA), which is a varenicline synthesis intermediate. Furthermore, the present invention provides an improved method for preparing varenicline, or a salt or a solvate thereof. Moreover, the present invention provides a process for decolouring varenicline, or a salt or a solvate thereof. Moreover, the present invention provides a process for preparing varenicline L-tartrate, with an improved yield. Moreover, the present invention relates to the use of a compound of formula (V), or a salt or a solvate thereof, as reference marker and reference standard for evaluating the purity of varenicline, or a salt or a solvate thereof.

  本发明提供了一种制备式（IIIA）化合物的改进方法，该化合物是一种伐伦克林合成中间体。此外，本发明还提供了一种制备伐尼克兰或其盐或溶液的改进方法。此外，本发明还提供了一种脱色伐伦克林或其盐或溶液的工艺。此外，本发明还提供了一种制备酒石酸伐伦克林的工艺，其产率有所提高。此外，本发明还涉及将式（V）化合物或其盐或溶液作为参考标记和参考标准，用于评估伐伦克林或其盐或溶液的纯度。
• PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS
  申请人：Pfizer Products Inc.

  公开号：EP1383733B1

  公开（公告）日：2008-03-05
• [EN] SUCCINIC ACID SALTS OF 5,8,14-TRIAZATETRACYCLO'10.3.1.0<2,11>.0<4,9>-HEXADECA-2(11),3,5,7,9-PENTAENE AND PHARMACEUTICAL COMPOSITIONS THEREOF<br/>[FR] SELS SUCCINIQUES DE 5,8,14-TRIAZATETRACYCLO'10.3.1.0<2,11>.0<4,9>-HEXADECA-2(11),3,5,7,9-PENTAENE ET COMPOSITIONS PHARMACEUTIQUES ASSOCIEES
  申请人：PFIZER PROD INC

  公开号：WO2003045394A1

  公开（公告）日：2003-06-05

  The present invention is directed to the succinate salts of 5,7,13-triazatetracyclo[9.3.1.02,10.04,8]-pentadeca-2(10),3,5,8-tetraene and pharmaceutical compositions thereof. The invention is also directed to a process for preparation of the salts.
• [EN] IMPROVED METHODS FOR THE PREPARATION OF QUINOXALINE DERIVATIVES<br/>[ES] PROCEDIMIENTOS MEJORADOS PARA LA PREPARACIÓN DE DERIVADOS DE QUINOXALINA<br/>[FR] PROCÉDÉS AMÉLIORÉS POUR LA PRÉPARATION DE DÉRIVÉS DE QUINOXALINE
  申请人：MEDICHEM SA

  公开号：WO2011154586A2

  公开（公告）日：2011-12-15

  La presente invención proporciona un procedimiento mejorado para preparar compuesto de fórmula (IIIA), un intermedio de la síntesis de vareniclina. También, la presente invención proporciona un procedimiento mejorado para preparar vareniclina, o una sal o un solvato de la misma. Además, la presente invención provee un proceso para decolorar vareniclina, o una sal o un solvato de la misma. Además, la presente invención provee un proceso para preparar L- tartrato de vareniclina con rendimiento mejorado. Además la presente invención se refiere al uso de un compuesto de fórmula (V), o una sal o un solvato del mismo, como marcador de referencia y estándar de referencia para evaluar la pureza de vareniclina, o una sal o un solvato de la misma.