10-(difluoromethoxy)-2,3,15,16,17,18,19,20-octahydro-15,19-dimethyl-11,7-metheno-7H-12-oxa-2,3,5,6,15,19-hexaazacyclooctadec[1,2,3-cd]inden-14(13H)-one | 1111232-91-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: 10-(difluoromethoxy)-2,3,15,16,17,18,19,20-octahydro-15,19-dimethyl-11,7-metheno-7H-12-oxa-2,3,5,6,15,19-hexaazacyclooctadec[1,2,3-cd]inden-14(13H)-one
• 英文别名: 6-(Difluoromethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
• CAS: 1111232-91-7
• 化学式: C₂₁H₂₄F₂N₆O₃
• 分子量: 446.457
• InChiKey: NRMPXELEQYGELS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.6
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[2-(difluoromethoxy)-5-[[5-[[methyl-[3-(methylamino)propyl]amino]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenoxy]acetic acid 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 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 2.0h， 以4%的产率得到10-(difluoromethoxy)-2,3,15,16,17,18,19,20-octahydro-15,19-dimethyl-11,7-metheno-7H-12-oxa-2,3,5,6,15,19-hexaazacyclooctadec[1,2,3-cd]inden-14(13H)-one
  参考文献：
  名称：

  [EN] PYRROLOPYRIMIDINES
  [FR] PYRROLOPYRIMIDINES

  摘要：

  本发明涉及化合物或其药用盐，制备它们的方法，含有它们的药物组合物以及它们在治疗中的用途。该发明特别涉及一类极化样激酶（PLKs）抑制剂化合物，用于治疗由PLK介导的疾病状态，特别是PLK4，特别是在治疗涉及异常细胞增殖的病理过程中有用的化合物，如肿瘤生长、类风湿性关节炎、再狭窄和动脉粥样硬化。

  公开号：

  WO2009016132A1

文献信息

• PYRROLOPYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Janssen Pharmaceutica, N.V.

  公开号：EP2185562B1

  公开（公告）日：2015-12-02
• PYRROLOPYRIMIDINES
  申请人：Diels Gaston Stanislas Marcella

  公开号：US20100204197A1

  公开（公告）日：2010-08-12

  The present invention relates to compounds or pharmaceutically-acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to compounds that are polo-like kinase (PLKs) inhibitors useful for the treatment of disease states mediated by PLK, especially PLK4, in particular such compounds that are useful in the treatment of pathological processes which involve an aberrant cellular proliferation, such as tumour growth, rheumatoid arthritis, restenosis and atherosclerosis.
• US8318731B2
  申请人：——

  公开号：US8318731B2

  公开（公告）日：2012-11-27
• [EN] PYRROLOPYRIMIDINES<br/>[FR] PYRROLOPYRIMIDINES
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009016132A1

  公开（公告）日：2009-02-05

  The present invention relates to compounds or pharmaceutically-acceptable salts thereof, processes for preparing them, pharmaceutical compositions containing them and their use in therapy. The invention particularly relates to compounds that are polo-like kinase (PLKs) inhibitors useful for the treatment of disease states mediated by PLK, especially PLK4, in particular such compounds that are useful in the treatment of pathological processes which involve an aberrant cellular proliferation, such as tumour growth, rheumatoid arthritis, restenosis and atherosclerosis.

  本发明涉及化合物或其药用盐，制备它们的方法，含有它们的药物组合物以及它们在治疗中的用途。该发明特别涉及一类极化样激酶（PLKs）抑制剂化合物，用于治疗由PLK介导的疾病状态，特别是PLK4，特别是在治疗涉及异常细胞增殖的病理过程中有用的化合物，如肿瘤生长、类风湿性关节炎、再狭窄和动脉粥样硬化。