N-cyclopropyl-4-(7-(((3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzamide | 1610759-22-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-cyclopropyl-4-(7-(((3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzamide
• 英文别名: N-cyclopropyl-4-[7-[(3-hydroxy-3-methylcyclobutyl)methylamino]-5-pyridin-3-yloxypyrazolo[1,5-a]pyrimidin-3-yl]-2-methylbenzamide
• CAS: 1610759-22-2
• 化学式: C₂₈H₃₀N₆O₃
• 分子量: 498.585
• InChiKey: PMQUGSPFUBGJCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  114
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-cyclopropyl-4-(7-(((3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzamide 在 磷酸 作用下， 以 丙酮 为溶剂， 反应 48.0h， 生成 N-cyclopropyl-4-(7-(((3-hydroxy-3-methylcyclobutyl)methyl)amino)-5-(pyridin-3-yloxy)pyrazolo[1,5-a]pyrimidin-3-yl)-2-methylbenzamide bisphosphate
  参考文献：
  名称：

  [EN] SOLID FORMS OF TTK INHIBITOR
  [FR] FORMES SOLIDES D'INHIBITEUR DE TTK

  摘要：

  The present invention relates to a novel co-crystal of the compound of formula (I): (Formula (I)) wherein the co-former molecule is bisphosphate hemihydrate, to processes for the preparation of the co-crystal, to pharmaceutical compositions containing the co-crystal, to the use of such a co-crystal in the manufacture of a medicament for use in the treatment of cancer and to methods of treating such diseases in the human or animal body by administering a therapeutically effective amount of such a co-crystal.

  公开号：

  WO2018014116A1

文献信息

• PYRAZOLOPYRIMIDINE COMPOUNDS
  申请人：UNIVERSITY HEALTH NETWORK

  公开号：US20150299203A1

  公开（公告）日：2015-10-22

  The present teachings provide a compound represented by structural formula (1-0), or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof.

  本教学提供了一种由结构式(1-0)表示的化合物，或其药学上可接受的盐。还描述了药物组合物和使用方法。
• Pyrazolopyrimidine compounds
  申请人：University Health Network

  公开号：US10106545B2

  公开（公告）日：2018-10-23

  The present teachings provide a compound represented by structural formula (I-0), or a pharmaceutically acceptable salt thereof. Also described are pharmaceutical compositions and methods of use thereof.

  本发明提供了一种由结构式（I-0）表示的化合物或其药学上可接受的盐。还描述了药物组合物及其使用方法。
• Solid forms of TTK inhibitor
  申请人：University Health Network

  公开号：US10584130B2

  公开（公告）日：2020-03-10

  The present invention relates to a novel co-crystal of the compound of formula (I): (Formula (I)) wherein the co-former molecule is bisphosphate hemihydrate, to processes for the preparation of the co-crystal, to pharmaceutical compositions containing the co-crystal, to the use of such a co-crystal in the manufacture of a medicament for use in the treatment of cancer and to methods of treating such diseases in the human or animal body by administering a therapeutically effective amount of such a co-crystal.

  本发明涉及一种新型的式(I)化合物共晶体：(式(I))，其中共晶体分子为半水合二磷酸盐；涉及该共晶体的制备工艺；涉及含有该共晶体的药物组合物；涉及在制造用于治疗癌症的药物时使用该共晶体；还涉及通过施用治疗有效量的该共晶体在人体或动物体内治疗此类疾病的方法。
• SOLID FORMS OF TTK INHIBITOR
  申请人：University Health Network

  公开号：US20190292193A1

  公开（公告）日：2019-09-26

  The present invention relates to a novel co-crystal of the compound of formula (I): (Formula (I)) wherein the co-former molecule is bisphosphate hemihydrate, to processes for the preparation of the co-crystal, to pharmaceutical compositions containing the co-crystal, to the use of such a co-crystal in the manufacture of a medicament for use in the treatment of cancer and to methods of treating such diseases in the human or animal body by administering a therapeutically effective amount of such a co-crystal.
• US9573954B2
  申请人：——

  公开号：US9573954B2

  公开（公告）日：2017-02-21