7-Boc-1-氧代-3-苯基-2,7-二氮杂螺[3.5]壬烷 | 1013033-83-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 7-Boc-1-氧代-3-苯基-2,7-二氮杂螺[3.5]壬烷
• 英文名称: tert-butyl 1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
• 英文别名: 1,1-dimethylethyl 1-oxo-3-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate；tert-butyl 3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
• CAS: 1013033-83-4
• 化学式: C₁₈H₂₄N₂O₃
• 分子量: 316.4
• InChiKey: DQYJJBNLPZSFIG-UHFFFAOYSA-N

物化性质

• 沸点：
  505.5±50.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-Boc-1-氧代-3-苯基-2,7-二氮杂螺[3.5]壬烷 在 盐酸 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 3.5h， 生成 methyl (2S,4S)-1-(2,2-diphenylacetyl)-4-(3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonan-7-yl)pyrrolidine-2-carboxylate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE
  [FR] COMPOSÉS HÉTÉROCYCLIQUES ET PROCÉDÉS POUR LEUR UTILISATION

  摘要：

  本发明涉及用于拮抗血管紧张素II型2（AT2）受体的杂环化合物。更具体地，本发明涉及吡咯烷和氮杂环丙烷化合物，含有它们的组合物以及它们在治疗或预防与AT2受体功能相关的疾病或疾病的方法中的使用，包括神经病性疼痛、炎症性疼痛、与神经元过敏、神经传导速度受损、细胞增殖紊乱、骨吸收和骨形成之间失衡以及与异常神经再生相关的疾病。

  公开号：

  WO2013102242A1
• 作为产物：
  描述：

  苯甲醛 、 N-Boc-4-哌啶甲酸乙酯 在 lithium hexamethyldisilazane 、 lithium diisopropyl amide 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以67%的产率得到7-Boc-1-氧代-3-苯基-2,7-二氮杂螺[3.5]壬烷
  参考文献：
  名称：

  Azetidinone Derivatives and Methods of Use Thereof

  摘要：

  本发明涉及治疗或预防脂质代谢紊乱、疼痛、糖尿病、血管疾病、脱髓鞘或非酒精性脂肪肝病的方法，包括给予具有以下结构式的化合物或其药学上可接受的盐、溶剂化合物、酯、前药或立体异构体： R 1 和 R 2 在本文的表1-6中定义，并且 R 3 为-苯基、-4-氯苯基、-2-吡啶基或-3-吡啶基。

  公开号：

  US20080076750A1

文献信息

• TREATING PAIN, DIABETES, AND DISORDERS OF LIPID METABOLISM
  申请人：Harris M. Joel

  公开号：US20080070892A1

  公开（公告）日：2008-03-20

  Disclosed is a method of treating a disease or condition (e.g., pain, diabetes or disorders of lipid metabolism) comprising administering an azetidine derivative of the formula I selected from the group consisting of the compounds defined by Tables 1, 2, 3a, 3b, 3c, 3d and 4a.

  揭示了一种治疗疾病或病症（例如疼痛、糖尿病或脂质代谢紊乱）的方法，包括给予从表1、2、3a、3b、3c、3d和4a定义的化合物组中选择的式I的吖啶衍生物。
• Heterocyclic compounds and methods of their use
  申请人：NOVARTIS AG

  公开号：US10370388B2

  公开（公告）日：2019-08-06

  The present invention relates to heterocyclic compounds useful for antagonizing angiotensin II Type 2 (AT2) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.

  本发明涉及可用于拮抗血管紧张素 II 2 型（AT2）受体的杂环化合物。更具体地说，本发明涉及吡咯烷和氮杂环丁烷化合物、含有它们的组合物及其在治疗或预防与 AT2 受体功能有关的紊乱或疾病的方法中的用途，这些紊乱或疾病包括神经性疼痛、炎症性疼痛、与神经元超敏性有关的病症、神经传导速度受损、细胞增殖紊乱、与骨吸收和骨形成失衡有关的紊乱以及与神经再生异常有关的紊乱。
• Spiro-piperidine azetidinones as potent TRPV1 antagonists
  作者：Dong Xiao、Anandan Palani、Robert Aslanian、Brian A. McKittrick、Andrew T. McPhail、Craig C. Correll、P. Tara Phelps、John C. Anthes、Diane Rindgen

  DOI：10.1016/j.bmcl.2008.12.024

  日期：2009.2

  A series of spiro-piperidine azetidinone were synthesized and evaluated as potential TRPV1 antagonists. An important issue of plasma stability was investigated and resolved. Further focused SAR study lead to the discovery of a potent antagonist with good oral pharmacokinetic profile in rat. (C) 2008 Elsevier Ltd. All rights reserved.
• Heterocyclic Compounds and Methods of Their Use
  申请人：Spinifex Pharmaceuticals Pty Ltd

  公开号：US20140378430A1

  公开（公告）日：2014-12-25

  The present invention relates to heterocyclic compounds useful for antagonising angiotensin II Type 2 (AT 2 ) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT 2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.
• HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE
  申请人：NOVARTIS AG

  公开号：US20170145032A1

  公开（公告）日：2017-05-25

  The present invention relates to heterocyclic compounds useful for antagonising angiotensin II Type 2 (AT 2 ) receptor. More particularly the invention relates to pyrrolidine and azetidine compounds, compositions containing them and their use in methods of treating or preventing disorders or diseases associated with AT 2 receptor function including neuropathic pain, inflammatory pain, conditions associated with neuronal hypersensitivity, impaired nerve conduction velocity, cell proliferation disorders, disorders associated with an imbalance between bone resorption and bone formation and disorders associated with aberrant nerve regeneration.