5-Fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide | 1052106-47-4

• 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: 5-Fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide
• 英文别名: 5-fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide
• CAS: 1052106-47-4
• 化学式: C₉H₁₁FN₄O₂
• 分子量: 226.21
• InChiKey: MDADQRVESKIILP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  81.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide 在 劳森试剂 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 生成 5-Fluoro-4-morpholin-4-ylpyrimidine-2-carbothioamide
  参考文献：
  名称：

  WO2008/106202

  摘要：

  公开号：
• 作为产物：
  描述：

  5-Fluoro-4-morpholin-4-ylpyrimidine-2-carbonitrile 在 硫酸 作用下， 反应 16.0h， 生成 5-Fluoro-4-morpholin-4-ylpyrimidine-2-carboxamide
  参考文献：
  名称：

  WO2008/106202

  摘要：

  公开号：

文献信息

• Theramutein modulators
  申请人：Housey Gerad M.

  公开号：US20100016298A1

  公开（公告）日：2010-01-21

  This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

  这项发明涉及的是抑制或激活内源性蛋白变异形式的试剂以及识别这些变异的新方法。特别感兴趣的是那些由突变基因编码的内源性蛋白变异的抑制剂和激活剂，这些变异通常是在暴露于已知是相应未突变内源性蛋白的抑制剂或激活剂的化学试剂之后出现，或者至少是首次被识别为由此类化学试剂引起的。
• THERAMUTEIN MODULATORS
  申请人：Housey, Gerard M.

  公开号：EP3461813A1

  公开（公告）日：2019-04-03

  This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.

  本发明涉及作为内源蛋白质变异形式的抑制剂或激活剂的制剂，以及鉴定这种变异体的新方法。特别令人感兴趣的是由基因突变编码的内源蛋白质变体的抑制剂和激活剂，这种变体往往是在接触已知是相应的未突变内源蛋白质的抑制剂或激活剂的化学制剂后产生的，或至少是在接触这种化学制剂后首次被确定为产生的。
• Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators
  申请人：HMI Medical Innovations, LLC

  公开号：US10018619B2

  公开（公告）日：2018-07-10

  This invention relates to methods of identifying, synthesizing, optimizing and profiling compounds that are inhibitors or activators of proteins, both naturally occurring endogenous proteins as well as certain variant forms of endogenous proteins, and novel methods of identifying such variants. The method accelerates the identification and development of compounds as potential therapeutically effective drugs by simplifying the pharmaceutical discovery and creation process through improvements in hit identification, lead optimization, biological profiling, and rapid elimination of toxic compounds. Implementation results in overall cost reductions in the drug discovery process resulting from the corresponding increases in efficiency.

  本发明涉及鉴定、合成、优化和剖析作为蛋白质抑制剂或激活剂的化合物的方法，这些蛋白质既包括天然存在的内源性蛋白质，也包括内源性蛋白质的某些变体形式，以及鉴定这些变体的新方法。该方法通过改进新药鉴定、先导物优化、生物分析和快速消除有毒化合物，简化了药物发现和创造过程，从而加快了作为潜在治疗药物的化合物的鉴定和开发。该方法的实施可相应提高效率，从而降低药物发现过程的总体成本。
• Compounds and methods of identifying, synthesizing, optimizing and profiling protein modulators
  申请人：HMI Medical Innovations, LLC

  公开号：US10473643B2

  公开（公告）日：2019-11-12

  This invention relates to methods of identifying, synthesizing, optimizing and profiling compounds that are inhibitors or activators of proteins, both naturally occurring endogenous proteins as well as certain variant forms of endogenous proteins, and novel methods of identifying such variants. The method accelerates the identification and development of compounds as potential therapeutically effective drugs by simplifying the pharmaceutical discovery and creation process through improvements in hit identification, lead optimization, biological profiling, and rapid elimination of toxic compounds. Implementation results in overall cost reductions in the drug discovery process resulting from the corresponding increases in efficiency.

  本发明涉及鉴定、合成、优化和剖析作为蛋白质抑制剂或激活剂的化合物的方法，这些蛋白质既包括天然存在的内源性蛋白质，也包括内源性蛋白质的某些变体形式，以及鉴定这些变体的新方法。该方法通过改进新药鉴定、先导物优化、生物分析和快速消除有毒化合物，简化了药物发现和创造过程，从而加快了作为潜在治疗药物的化合物的鉴定和开发。该方法的实施可相应提高效率，从而降低药物发现过程的总体成本。
• Therameutin Modulators
  申请人：Housey Gerard M.

  公开号：US20080269262A1

  公开（公告）日：2008-10-30

  This invention relates to agents that are inhibitors or activators of variant forms of endogenous proteins and novel methods of identifying such variants. Of particular interest are inhibitors and activators of endogenous protein variants, encoded by genes which have mutated, which variants often arise or are at least first identified as having arisen following exposure to a chemical agent which is known to be an inhibitor or activator of the corresponding unmutated endogenous protein.