Pmid20346665C27 | 902746-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: Pmid20346665C27
• 英文别名: 13-amino-11-methyl-5-(4-methylphenyl)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
• CAS: 902746-57-0
• 化学式: C₁₆H₁₃N₅OS
• 分子量: 323.378
• InChiKey: RIMQNIZNDUNPQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 4,5-bis(((dimethylamino)methylene)amino)-2-methylthieno[2,3-d]pyrimidine-6-carboxylate 、 乙烷,三氯氟- 在 溶剂黄146 作用下， 生成 Pmid20346665C27
  参考文献：
  名称：

  三氮杂芴酮核心结构的A环修饰及其mGluR1拮抗剂特性

  摘要：

  研究了三氮杂芴酮核心结构上的A环修饰。不允许使用五元杂环，例如吡唑和异噻唑。已经发现，嘧啶核在左手侧具有很好的耐受性。氨基嘧啶化合物24和27表现出可接受的PK分布，并具有明显的脑部渗透能力。化合物9用作许多化学转化的通用中间体。

  DOI：

  10.1016/j.bmcl.2010.03.004

文献信息

• mGluR1 Antagonists as therapeutic agents
  申请人：Matasi J. Julius

  公开号：US20060167029A1

  公开（公告）日：2006-07-27

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 -R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.

  在许多实施方案中，本发明提供了式 I 的三环化合物（其中 J 1 -J 4 、X 和 R 1 -R 5 如本文所定义）作为代谢型谷氨酸受体（mGluR）拮抗剂，特别是作为选择性代谢型谷氨酸受体 1 拮抗剂，含有这些化合物的药物组合物，以及使用这些化合物和组合物治疗与代谢型谷氨酸受体（如 mGluR1）相关疾病（如疼痛、偏头痛、焦虑、尿失禁和神经退行性疾病，如阿尔茨海默病）的方法。
• mGluR1 ANTAGONISTS AS THERAPEUTIC AGENTS
  申请人：Matasi Julius J.

  公开号：US20090192178A1

  公开（公告）日：2009-07-30

  In its many embodiments, the present invention provides tricyclic compounds of formula I (wherein J 1 -J 4 , X, and R 1 -R 5 are as defined herein) useful as metabotropic glutamate receptor (mGluR) antagonists, particularly as selective metabotropic glutamate receptor 1 antagonists, pharmaceutical compositions containing the compounds, and methods of treatment using the compounds and compositions to treat diseases associated with metabotropic glutamate receptor (e.g., mGluR1) such as, for example, pain, migraine, anxiety, urinary incontinence and neurodegenerative diseases such Alzheimer's disease.
• US7598259B2
  申请人：——

  公开号：US7598259B2

  公开（公告）日：2009-10-06
• US7989464B2
  申请人：——

  公开号：US7989464B2

  公开（公告）日：2011-08-02
• A-ring modifications on the triazafluorenone core structure and their mGluR1 antagonist properties
  作者：T.K. Sasikumar、Li Qiang、Duane A. Burnett、William J. Greenlee、Cheng Li、Mariagrazia Grilli、Rosalia Bertorelli、Gianluca Lozza、Angelo Reggiani

  DOI：10.1016/j.bmcl.2010.03.004

  日期：2010.4

  A-ring modifications on the triazafluorenone core structure were investigated. Five membered heterocycles such as pyrazoles and isothiazoles are not tolerated. It has been found that the pyrimidine nucleus was very well tolerated on the left hand side. Amino pyrimidine compounds 24 and 27 showed acceptable PK profile with significant brain penetration. Compound 9 served as a versatile intermediate

  研究了三氮杂芴酮核心结构上的A环修饰。不允许使用五元杂环，例如吡唑和异噻唑。已经发现，嘧啶核在左手侧具有很好的耐受性。氨基嘧啶化合物24和27表现出可接受的PK分布，并具有明显的脑部渗透能力。化合物9用作许多化学转化的通用中间体。