(S)-(1-(4-((5-cyclopentyl-1H-pyrazol-3-yl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)pyrrolidin-2-yl)(4,4-difluoropiperidin-1-yl)methanone

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-(1-(4-((5-cyclopentyl-1H-pyrazol-3-yl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)pyrrolidin-2-yl)(4,4-difluoropiperidin-1-yl)methanone
• 英文别名: [(2S)-1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
• 化学式: C₂₅H₃₃F₂N₇O
• 分子量: 485.58
• InChiKey: NLMLDTVXKGYHDL-FQEVSTJZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4,4-二氟哌啶盐酸盐 、 1-[4-[(3-cyclopentyl-1H-pyrazol-5-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid hydrochloride 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 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 18.0h， 以90 mg的产率得到(S)-(1-(4-((5-cyclopentyl-1H-pyrazol-3-yl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)pyrrolidin-2-yl)(4,4-difluoropiperidin-1-yl)methanone
  参考文献：
  名称：

  [EN] FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF
  [FR] COMPOSÉS DE CYCLOALKYLE-PYRIMIDINE FUSIONNÉS ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2016003827A3

文献信息

• FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF
  申请人：MEDIVATION TECHNOLOGIES, INC.

  公开号：US20160068513A1

  公开（公告）日：2016-03-10

  Fused pyrimidine compounds as kinase inhibitors, such as multi-kinase inhibitors, are provided. Fused pyrimidine compounds as IGF-IR inhibitors are provided. Fused pyrimidine compounds that are inhibitors of Trk receptors (e.g., Trk A, Trk B and Trk C) are provided also. The compounds may be used in a method of treating cancer. Pharmaceutical compositions containing a fused pyrimidine compound and a pharmaceutically acceptable carrier are also provided, as are kits containing a fused pyrimidine compound or salt thereof and instructions for use, e.g., in a method of treating cancer.

  提供了作为激酶抑制剂的融合嘧啶化合物，例如多激酶抑制剂。提供了作为IGF-IR抑制剂的融合嘧啶化合物。还提供了抑制Trk受体（例如Trk A，Trk B和Trk C）的融合嘧啶化合物。这些化合物可以用于治疗癌症的方法。还提供了含有融合嘧啶化合物和药用载体的制药组合物，以及包含融合嘧啶化合物或其盐和使用说明的试剂盒，例如用于治疗癌症的方法。
• FUSED CYCLOALKYL-PYRIMIDINE COMPOUNDS AND USES THEREOF
  申请人：Medivation Technologies, Inc.

  公开号：US20170137410A1

  公开（公告）日：2017-05-18

  Fused cycloalkyl-pyrimidine compounds that are kinase inhibitors, such as multi-kinase inhibitors, are provided. The compounds may be used in a method of treating cancer. Pharmaceutical compositions containing a fused cycloalkyl-pyrimidine compound and a pharmaceutically acceptable carrier are also provided, as are kits containing a fused cycloalkyl-pyrimidine compound or salt thereof and instructions for use, e.g., in a method of treating cancer.
• US9499519B2
  申请人：——

  公开号：US9499519B2

  公开（公告）日：2016-11-22
• [EN] FUSED PYRIMIDINE COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS PYRIMIDINE FUSIONNÉS ET LEUR UTILISATION
  申请人：MEDIVATION TECHNOLOGIES INC

  公开号：WO2014105958A2

  公开（公告）日：2014-07-03

  Fused pyrimidine compounds as kinase inhibitors, such as multi-kinase inhibitors, are provided. Fused pyrimidine compounds as IGF-IR inhibitors are provided. Fused pyrimidine compounds that are inhibitors of Trk receptors (e.g., Trk A, Trk B and Trk C) are provided also. The compounds may be used in a method of treating cancer. Pharmaceutical compositions containing a fused pyrimidine compound and a pharmaceutically acceptable carrier are also provided, as are kits containing a fused pyrimidine compound or salt thereof and instructions for use, e.g., in a method of treating cancer.