Tert-butyl 3-[methoxy(methyl)carbamoyl]azepane-1-carboxylate | 1202181-12-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: Tert-butyl 3-[methoxy(methyl)carbamoyl]azepane-1-carboxylate
• CAS: 1202181-12-1
• 化学式: C₁₄H₂₆N₂O₄
• 分子量: 286.371
• InChiKey: SIPVNQURBXTQEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 3-[methoxy(methyl)carbamoyl]azepane-1-carboxylate 、 5-溴-1-(三异丙基硅基)-1H-吲哚 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 生成 tert-butyl 3-(1-(triisopropylsilyl)-1H-indole-5-carbonyl)azepane-1-carboxylate
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain

  摘要：

  Two new series of monoamine triple reuptake inhibitors (TRIs) have been discovered through scaffold homologation of our recently reported series of 3,3-disubstituted pyrrolidine TRIs. The regioisomeric 2- and 3-ketopyrrolidines demonstrated high levels of potency against all three monoamine transporters as well as good human in vitro stability, low drug-drug interaction potential and a decreased propensity for hERG channel binding. Representative compounds from these series displayed good in vivo pharmacokinetics and high monoamine receptor occupancies which are indicators of good brain penetration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.020
• 作为产物：
  描述：

  氮杂烷-1,3-二羧酸 1-叔丁酯 、 二甲羟胺盐酸盐 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Tert-butyl 3-[methoxy(methyl)carbamoyl]azepane-1-carboxylate
  参考文献：
  名称：

  Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain

  摘要：

  Two new series of monoamine triple reuptake inhibitors (TRIs) have been discovered through scaffold homologation of our recently reported series of 3,3-disubstituted pyrrolidine TRIs. The regioisomeric 2- and 3-ketopyrrolidines demonstrated high levels of potency against all three monoamine transporters as well as good human in vitro stability, low drug-drug interaction potential and a decreased propensity for hERG channel binding. Representative compounds from these series displayed good in vivo pharmacokinetics and high monoamine receptor occupancies which are indicators of good brain penetration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.020

文献信息

• Aspartic Protease Inhibitors
  申请人：Baldwin John J.

  公开号：US20100048636A1

  公开（公告）日：2010-02-25

  The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

  本发明涉及天冬氨酸蛋白酶抑制剂。本发明所述的某些天冬氨酸蛋白酶抑制剂可以用以下结构式或其药学上可接受的盐来表示。本发明还涉及包括所述天冬氨酸蛋白酶抑制剂的药物组合物。本发明还涉及在需要拮抗一种或多种天冬氨酸蛋白酶的主体中的方法，以及使用所述天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• ASPARTIC PROTEASE INHIBITORS
  申请人：Vitae Pharmaceuticals, Inc.

  公开号：EP1966139B1

  公开（公告）日：2011-12-21
• US8487108B2
  申请人：——

  公开号：US8487108B2

  公开（公告）日：2013-07-16
• [EN] ASPARTIC PROTEASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTEASE ASPARTIQUE
  申请人：VITAE PHARMACEUTICALS INC

  公开号：WO2007070201A1

  公开（公告）日：2007-06-21

  [EN] The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.
  [FR] La présente invention concerne des inhibiteurs de protéase aspartique. Certains inhibiteurs de protéase aspartique de l'invention peuvent être représentés par la formule structurale suivante ou un sel pharmaceutiquement acceptable de celle-ci. La présente invention concerne en outre des compositions pharmaceutiques comprenant les inhibiteurs de protéase aspartique décrits. La présente invention concerne en outre des procédés d'antagonisation d'une ou plusieurs protéases aspartiques chez un sujet nécessitant celle-ci, et des procédés pour traiter un trouble véhiculé par la protéase aspartique chez un sujet utilisant les inhibiteurs de protéase aspartique décrits.
• Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain
  作者：Matthew C. Lucas、Robert J. Weikert、David S. Carter、Hai-Ying Cai、Robert Greenhouse、Pravin S. Iyer、Clara J. Lin、Eun Kyung Lee、Ann Marie Madera、Amy Moore、Kerem Ozboya、Ryan C. Schoenfeld、Sandra Steiner、Yansheng Zhai、Stephen M. Lynch

  DOI：10.1016/j.bmcl.2010.07.020

  日期：2010.9

  Two new series of monoamine triple reuptake inhibitors (TRIs) have been discovered through scaffold homologation of our recently reported series of 3,3-disubstituted pyrrolidine TRIs. The regioisomeric 2- and 3-ketopyrrolidines demonstrated high levels of potency against all three monoamine transporters as well as good human in vitro stability, low drug-drug interaction potential and a decreased propensity for hERG channel binding. Representative compounds from these series displayed good in vivo pharmacokinetics and high monoamine receptor occupancies which are indicators of good brain penetration. (C) 2010 Elsevier Ltd. All rights reserved.