methyl (4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)carbamate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: methyl (4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)carbamate
• 英文别名: methyl N-[4-[(2S)-4-[4-(3-fluoropyridin-4-yl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]carbamate
• 化学式: C₂₂H₂₂FN₅O₄
• 分子量: 439.446
• InChiKey: BLXUADBSXILJSE-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  96.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-((2S)-2-(4-aminophenyl)morpholin-4-yl)-6-(3-fluoropyridin-4-yl)-3-methyl-3H-pyrimidin-4-one 、 氯甲酸甲酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以42%的产率得到methyl (4-((2S)-4-(6-(3-fluoropyridin-4-yl)-3-methyl-4-oxo-3H-pyrimidin-2-yl)morpholin-2-yl)phenyl)carbamate
  参考文献：
  名称：

  [EN] 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS
  [FR] COMPOSE PYRIMIDONE

  摘要：

  公开号：

  WO2006036015A3

文献信息

• 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS
  申请人：Watanabe Kazutoshi

  公开号：US20090239864A1

  公开（公告）日：2009-09-24

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R 1 represents a C 1 -C 12 alkyl; R 2 represents a hydrogen atom or the like; R 3 represents a halogen or the like; q represents an integer of 1 to 7; R 4 represents a halogen or the like; p represents 0 or an integer of 1 to 5; R 5 represents a C 6 -C 10 aryl, a heterocycle or the like; and X represents oxygen, NH, or the like, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为（I），其手性异构体，或其药学可接受的盐：其中R1表示C1-C12烷基；R2表示氢原子或类似物；R3表示卤素或类似物；q表示1至7的整数；R4表示卤素或类似物；p表示0或1至5的整数；R5表示C6-C10芳基，杂环或类似物；X表示氧，NH或类似物，用于预防和/或治疗由tau蛋白激酶1高活性引起的疾病，例如神经退行性疾病（如阿尔茨海默病）。
• 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：US08129377B2

  公开（公告）日：2012-03-06

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R1 represents a C1-C12 alkyl; R2 represents a hydrogen atom or the like; R3 represents a halogen or the like; q represents an integer of 1 to 7; R4 represents a halogen or the like; p represents 0 or an integer of 1 to 5; R5 represents a C6-C10 aryl, a heterocycle or the like; and X represents oxygen, NH, or the like, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  化合物的化学式为（I），其手性异构体或药物可接受的盐：其中，R1代表C1-C12烷基；R2代表氢原子或类似物；R3代表卤素或类似物；q代表1至7的整数；R4代表卤素或类似物；p代表0或1至5的整数；R5代表C6-C10芳基，杂环或类似物；X代表氧、NH或类似物，用于预防和/或治疗由tau蛋白激酶1过度活化引起的疾病，如神经退行性疾病（例如阿尔茨海默病）。
• 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP2261224A2

  公开（公告）日：2010-12-15

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof: wherein R1 represents a C1-C12 alkyl; R2 represents a hydrogen atom or the like; R3 represents a halogen or the like; q represents an integer of 1 to 7; R4 represents a halogen or the like; p represents 0 or an integer of 1 to 5; R5 represents a C6-C10 aryl, a heterocycle or the like; and X represents oxygen, NH, or the like, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).

  由式（I）代表的化合物、其光学活性异构体或其药物可接受盐：其中 R1 代表 C1-C12 烷基；R2 代表氢原子或类似物；R3 代表卤素或类似物；q 代表 1 至 7 的整数；R4 代表卤素或类似物；p 代表 0 或 1 至 5 的整数；R5 代表 C6-C10 芳基、杂环或类似物；X 代表氧、NH 或类似物，用于预防和/或治疗由 tau 蛋白激酶 1 活性亢进引起的疾病，如神经退行性疾病（如阿尔茨海默病）。如阿尔茨海默病）。
• US8129377B2
  申请人：——

  公开号：US8129377B2

  公开（公告）日：2012-03-06
• [EN] PYRIMIDONE COMPOUND<br/>[FR] COMPOSE PYRIMIDONE
  申请人：MITSUBISHI PHARMA CORP

  公开号：WO2006036015A2

  公开（公告）日：2006-04-06

  A compound represented by the formula (I), an optically active isomer thereof, or a pharmaceutical acceptable salt thereof:wherein R1 represents a C1-C12 alkyl; R2 represents a hydrogen atom or the like; R3 represents a halogen or the like; q represents an integer of 1 to 7; R4 represents a halogen or the like; p represents 0 or an integer of 1 to 5; R5 represents a C6-C10 aryl, a heterocycle or the like; and X represents oxygen, NH, or the like, which is used for preventive and/or therapeutic treatment of a disease caused by tau protein kinase 1 hyperactivity such as a neurodegenerative diseases (e.g. Alzheimer disease).