(+/-)-N-(1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide | 855777-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (+/-)-N-(1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
• 英文别名: N-(1-(1H-Imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide；N-[1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
• CAS: 855777-80-9
• 化学式: C₂₇H₃₀N₈O₂
• 分子量: 498.588
• InChiKey: IDPBTEJQUPTFEX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (+/-)-N-(1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide 、 碘甲烷 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以15%的产率得到(+/-)-N-(1-(1-methyl-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC ANTI-MIGRAINE AGENTS
  [FR] ANTIMIGRAINEUX HETEROCYCLIQUES

  摘要：

  公开号：

  WO2005056550A3
• 作为产物：
  描述：

  1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethan-1-amine 、 3-(哌啶-4-基)-3,4-二氢喹唑啉-2(1H)-酮 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 0.25h， 生成 (+/-)-N-(1-(1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
  参考文献：
  名称：

  [EN] HETEROCYCLIC ANTI-MIGRAINE AGENTS
  [FR] ANTIMIGRAINEUX HETEROCYCLIQUES

  摘要：

  公开号：

  WO2005056550A3

文献信息

• Heterocyclic anti-migraine agents
  申请人：Luo Guanglin

  公开号：US20050153959A1

  公开（公告）日：2005-07-14

  The present invention relates to compounds of Formula (I) as antagonists of calcitonin gene-related peptide receptors (“CGRP-receptor”), pharmaceutical compositions comprising them, methods for identifying them, methods of treatment using them and their use in therapy for treatment of neurogenic vasodilation, neurogenic inflammation, migraine and other headaches, thermal injury, circulatory shock, flushing associated with menopause, airway inflammatory diseases, such as asthma and chronic obstructive pulmonary disease (COPD), and other conditions the treatment of which can be effected by the antagonism of CGRP-receptors.

  本发明涉及公式(I)的化合物作为降钙素基因相关肽受体（“CGRP受体”）拮抗剂，包括它们的制药组合物、鉴定它们的方法、使用它们的治疗方法以及它们在治疗神经源性血管扩张、神经源性炎症、偏头痛和其他头痛、热损伤、循环性休克、与绝经期相关的潮红、气道炎症性疾病（如哮喘和慢性阻塞性肺疾病（COPD））以及其他可以通过CGRP受体拮抗来治疗的病症的治疗中的应用。
• HETEROCYCLIC ANTI-MIGRAINE AGENTS
  申请人：Bristol-Myers Squibb Company

  公开号：EP1689738A2

  公开（公告）日：2006-08-16
• METHODS FOR THE SYNTHESIS OF DEUTERATED VINYL PYRIDINE MONOMERS
  申请人：UT-Battelle, LLC

  公开号：US20140213793A1

  公开（公告）日：2014-07-31

  Methods for synthesizing deuterated vinylpyridine compounds of the Formula (1), wherein the method includes: (i) deuterating an acyl pyridine of the Formula (2) in the presence of a metal catalyst and D 2 O, wherein the metal catalyst is active for hydrogen exchange in water, to produce a deuterated acyl compound of Formula (3); (ii) reducing the compound of Formula (3) with a deuterated reducing agent to convert the acyl group to an alcohol group, and (iii) dehydrating the compound produced in step (ii) with a dehydrating agent to afford the vinylpyridine compound of Formula (1). The resulting deuterated vinylpyridine compounds are also described.
• US7569578B2
  申请人：——

  公开号：US7569578B2

  公开（公告）日：2009-08-04
• [EN] HETEROCYCLIC ANTI-MIGRAINE AGENTS<br/>[FR] ANTIMIGRAINEUX HETEROCYCLIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005056550A3

  公开（公告）日：2005-07-14