3-(5-amino-2-chloro-phenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | 878738-80-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(5-amino-2-chloro-phenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
• 英文别名: 3-(5-amino-2-chlorophenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one；3-(5-amino-2-chlorophenyl)-1-methyl-7-methylsulfonyl-4H-pyrimido[4,5-d]pyrimidin-2-one
• CAS: 878738-80-8
• 化学式: C₁₄H₁₄ClN₅O₃S
• 分子量: 367.816
• InChiKey: HUCSSMVIELQZDU-UHFFFAOYSA-N

物化性质

• 沸点：
  641.9±65.0 °C(Predicted)
• 密度：
  1.522±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  118
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-(5-amino-2-chloro-phenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one 在 草酰氯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.33h， 生成 4'-morpholin-4-ylmethyl-biphenyl-4-carboxylic acid [4-chloro-3-(7-methanesulfonyl-1-methyl-2-oxo-1,4-dihydro-2H-pyrimido[4,5-d]pyrimidin-3-yl)-phenyl]-amide
  参考文献：
  名称：

  [EN] AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  [FR] DERIVES AMIDE DE 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-D]PYRIMIDINONES, AINSI QUE LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA PROTEINE KINASE

  摘要：

  本发明涉及7-氨基-3-苯基二氢嘧啶[4,5-d]嘧啶酮的新型酰胺衍生物，其制造工艺，含有它们的药物及其制造，以及这些化合物作为药物活性剂的使用。本发明的衍生物是通用公式（I）的新化合物。

  公开号：

  WO2006024487A1
• 作为产物：
  描述：

  3-(2-chloro-5-nitro-phenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one 在 Pd(CaCO₃)/C 氢气 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以98%的产率得到3-(5-amino-2-chloro-phenyl)-7-methanesulfonyl-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
  参考文献：
  名称：

  [EN] AMIDE DERIVATIVES OF 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-d]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  [FR] DERIVES AMIDE DE 7-AMINO-3-PHENYL-DIHYDROPYRIMIDO [4,5-D]PYRIMIDINONES, AINSI QUE LEUR PREPARATION ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA PROTEINE KINASE

  摘要：

  本发明涉及7-氨基-3-苯基二氢嘧啶[4,5-d]嘧啶酮的新型酰胺衍生物，其制造工艺，含有它们的药物及其制造，以及这些化合物作为药物活性剂的使用。本发明的衍生物是通用公式（I）的新化合物。

  公开号：

  WO2006024487A1

文献信息

• Amide Derivatives of 3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents
  申请人：Engh Richard

  公开号：US20070232611A1

  公开（公告）日：2007-10-04

  The present invention relates to novel amide derivatives of 3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新酰胺衍生物，以及其制备方法、含有它们的药物、以及这些化合物作为药用活性剂的用途。本发明的衍生物是一般式(I)的新化合物。
• Amide Derivatives of 7-Amino-3-Phenyl-Dihydropyrimido[4,5-D]Pyrimidinones, Their Manufacture and Use as Pharmaceutical Agents
  申请人：Engh Richard

  公开号：US20080032970A1

  公开（公告）日：2008-02-07

  The present invention relates to novel amide derivatives of 7-amino-3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及7-氨基-3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新型酰胺衍生物，以及它们的制造过程、含有它们的药物和它们的制造，以及这些化合物作为药物活性剂的用途。本发明的衍生物是通式(I)的新化合物。
• Amide derivatives of 7-amino-3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents
  申请人：Hoffmann-La Roche Inc.

  公开号：US07494993B2

  公开（公告）日：2009-02-24

  The present invention relates to novel amide derivatives of 7-amino-3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及7-氨基-3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新的酰胺衍生物，其制造方法，含有它们的药物以及它们的制造方法，以及这些化合物作为药物活性剂的用途。本发明的衍生物是通式（I）的新化合物。
• Amide derivatives of 3-phenyl-dihydropyrimido[4,5-d]pyrimidinones, their manufacture and use as pharmaceutical agents
  申请人：Hoffmann-La Roche Inc.

  公开号：US07655651B2

  公开（公告）日：2010-02-02

  The present invention relates to novel amide derivatives of 3-phenyl dihydropyrimido[4,5-d]pyrimidinones, to a process for their manufacture, medicaments containing them and their manufacture as well as the use of these compounds as pharmaceutically active agents. The present derivatives are new compounds of the general formula (I).

  本发明涉及3-苯基二氢嘧啶并[4,5-d]嘧啶酮的新酰胺衍生物，涉及其制造方法、含有它们的药物及其制造方法，以及这些化合物作为药物活性剂的用途。本发明的衍生物是具有一般式(I)的新化合物。
• AMIDE DERIVATIVES OF 3-PHENYL DIHYDROPYRIMIDO[4,5-D]PYRIMIDINONES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS
  申请人：F. Hoffmann-la Roche AG

  公开号：EP1789416A2

  公开（公告）日：2007-05-30