2-chloro-4-[5-chloro-4-(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yloxy)-pyrimidin-2-ylamino]-5-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide | 1227947-66-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-chloro-4-[5-chloro-4-(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yloxy)-pyrimidin-2-ylamino]-5-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide
• 英文别名: 2-chloro-4-[[5-chloro-4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]pyrimidin-2-yl]amino]-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide
• CAS: 1227947-66-1
• 化学式: C₂₇H₂₈Cl₂N₆O₄
• 分子量: 571.463
• InChiKey: UBVPWLAGRJRZEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氨基-1-甲基哌啶 、 2-chloro-4-[5-chloro-4-(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yloxy)-pyrimidin-2-ylamino]-5-methoxy-benzoic acid 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.33h， 生成 2-chloro-4-[5-chloro-4-(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yloxy)-pyrimidin-2-ylamino]-5-methoxy-N-(1-methyl-piperidin-4-yl)-benzamide
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER
  [FR] NOUVEAUX COMPOSÉS

  摘要：

  公开号：

  WO2010058032A3

文献信息

• SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER
  申请人：Stadtmueller Heinz

  公开号：US20110288071A1

  公开（公告）日：2011-11-24

  The present invention encompasses compounds of general formula (1) wherein A, B, X, R 1 to R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a medicament having the above-mentioned properties.

  本发明涵盖通式（1）中A，B，X，R1至R3如权利要求1所定义的化合物，适用于治疗由过度或异常细胞增殖特征的疾病，并用于制备具有上述特性的药物。
• Substituted pyrimidines for the treatment of diseases such as cancer
  申请人：Stadtmueller Heinz

  公开号：US08846689B2

  公开（公告）日：2014-09-30

  The present invention encompasses compounds of general formula (1) wherein A, B, X, R1 to R3 are defined as in claim 1, which are suitable for the treatment of diseases characterized by excessive or abnormal cell proliferation, and their use for preparing a medicament having the above-mentioned properties.

  本发明涵盖了通式（1）中A，B，X，R1至R3所定义的化合物，适用于治疗由过度或异常细胞增殖所特征的疾病，并且它们的用途是制备具有上述特性的药物。
• NEW COMPOUNDS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20150376141A1

  公开（公告）日：2015-12-31

  The present invention encompasses compounds of general formula (1) wherein A, B, X, R 1 to R 3 are defined as in claim 1 , which are suitable for the treatment of diseases characterised by excessive or abnormal cell proliferation, and their use for preparing a medicament having the above-mentioned properties.

  本发明涵盖了通式（1）中定义的化合物，其中A，B，X，R1至R3的定义如权利要求书中所述，适用于治疗由过度或异常细胞增殖所特征的疾病，并且它们的用途用于制备具有上述特性的药物。
• US8846689B2
  申请人：——

  公开号：US8846689B2

  公开（公告）日：2014-09-30
• US9676762B2
  申请人：——

  公开号：US9676762B2

  公开（公告）日：2017-06-13