2-(2-methoxyethyl)-5-oxo-5,6,7,8-tetrahydro-imidazo[1,5-c]pyrimidin-2-ium bromide | 615578-63-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(2-methoxyethyl)-5-oxo-5,6,7,8-tetrahydro-imidazo[1,5-c]pyrimidin-2-ium bromide
• 英文别名: 2-(2-methoxyethyl)-7,8-dihydro-6H-imidazo[1,5-c]pyrimidin-2-ium-5-one;bromide
• CAS: 615578-63-7
• 化学式: Br*C₉H₁₄N₃O₂
• 分子量: 276.133
• InChiKey: ODDRTCYNQJXGNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.46
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  47.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-methoxyethyl)-5-oxo-5,6,7,8-tetrahydro-imidazo[1,5-c]pyrimidin-2-ium bromide 在 水 作用下， 反应 16.0h， 以51%的产率得到2-(1-(2-methoxyethyl)-imidazol-4-yl)ethylamine
  参考文献：
  名称：

  2-(1H-Imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chain variants of the IGF-1R inhibitor BMS-536924

  摘要：

  A series of IGF-1R inhibitors is disclosed, wherein the (m-chlorophenyl) ethanol side chain of BMS-536924 (1) is replaced with a series of 2-(1H-imidazol-4-yl)ethanamine and 2-(1H-pyrazol-1-yl)ethanamine side chains. Some analogs show improved IGF-1R potency and oral exposure. Analogs from both series, 16a and 17f, show in vivo activity comparable to 1 in our constitutively activated IGF-1R Sal tumor model. This may be the due to the improved protein binding in human and mouse serum for imidazole 16a and the excellent oral exposure of pyrazole 17f. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.01.049
• 作为产物：
  描述：

  5,6,7,8-四氢-5-氧代咪唑并[1,5-c]嘧啶 、 2-溴乙基甲基醚 以 乙腈 为溶剂， 反应 16.0h， 生成 2-(2-methoxyethyl)-5-oxo-5,6,7,8-tetrahydro-imidazo[1,5-c]pyrimidin-2-ium bromide
  参考文献：
  名称：

  [EN] (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2003087088A3

文献信息

• 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases
  申请人：Bloomfield Graham Charles

  公开号：US20080280871A1

  公开（公告）日：2008-11-13

  in free or salt form, wherein R a , R b , R 2 , R 3 , R 4 and R 5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  在自由或盐形式中，其中Ra，Rb，R2，R3，R4和R5具有规范中指示的含义，对于治疗由磷脂酰肌醇3-激酶介导的疾病是有用的。还描述了含有该化合物的药物组合物以及制备该化合物的过程。
• 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：Bloomfield Graham Charles

  公开号：US20110124624A1

  公开（公告）日：2011-05-26

  Compounds of Formula I: in free or salt form, wherein R a , R b , R 2 , R 3 , R 4 and R 5 have the meanings as indicated in the specification, are useful for treating conditions that are mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and a process for preparing the compounds are also described.

  公式I的化合物：以自由或盐形式存在，其中Ra、Rb、R2、R3、R4和R5的含义如规范中所示，可用于治疗由磷脂酰肌醇3-激酶介导的疾病。还描述了含有这些化合物的制药组合物和制备这些化合物的过程。
• [EN] (CONDENSED) PYRIMIDONE AND (CONDENSED) PYRIDONE COMPOUNDS, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSES
  申请人：——

  公开号：WO2003087088A3

  公开（公告）日：2004-01-08
• 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES
  申请人：Novartis AG

  公开号：EP1689391A2

  公开（公告）日：2006-08-16
• US7902375B2
  申请人：——

  公开号：US7902375B2

  公开（公告）日：2011-03-08