8-Cyclopentyl-6methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pteridin-7-one | 330550-46-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 8-Cyclopentyl-6methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pteridin-7-one
• 英文别名: 8-Cyclopentyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pteridin-7-one
• CAS: 330550-46-4
• 化学式: C₂₃H₂₉N₇O
• 分子量: 419.53
• InChiKey: JVTTYXFLKZSRJH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  77
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N⁴-cyclopentyl-N²-(4-(4-methylpiperazin-1-yl)phenyl)-5-nitropyrimidine-2,4-diamine 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 8-Cyclopentyl-6methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pteridin-7-one
  参考文献：
  名称：

  Development of pteridin-7(8H)-one analogues as highly potent cyclin-dependent kinase 4/6 inhibitors: Synthesis, structure-activity relationship, and biological activity

  摘要：

  DOI：

  10.1016/j.bioorg.2021.105324

文献信息

• Pteridinones as kinase inhibitors
  申请人：——

  公开号：US20030130286A1

  公开（公告）日：2003-07-10

  Disclosed are compounds of Formulae (Ia), (Ib), (Ic), (Id) wherein: W is NH, S, SO, or SO 2 ; R 2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R 4 and R 6 are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R 8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R 8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula (I).

  公开了以下式(Ia)、(Ib)、(Ic)、(Id)的化合物：其中：W为NH、S、SO或SO2；R2为(非)取代芳基、(非)取代杂环芳基或(非)取代碳环或杂环；Q为氢或低碳基；R4和R6相同或不同，代表氢、卤素、低碳基、低烷氧基、(非)取代芳基、(非)取代杂环芳基、(非)取代芳基烷基或(非)取代杂环芳基烷基；R8为氢、低烷基或含有3-7个成员的(非)取代碳环基团，其中最多两个成员可选择性地为氧和氮等杂原子；或R8为(非)取代芳基、(非)取代杂环芳基、(非)取代芳基烷基或(非)取代杂环芳基烷基。这些化合物可用于治疗细胞增殖性疾病，如癌症和再狭窄。这些化合物是细胞周期依赖性激酶(cdk)和生长因子介导的激酶的有效抑制剂。本发明还提供了一种治疗细胞增殖性疾病的方法。本发明还提供了一种含有式(I)化合物的药学上可接受的组合物。
• PTERIDINONES AS KINASE INHIBITORS
  申请人：Denny Alexander William

  公开号：US20070049600A1

  公开（公告）日：2007-03-01

  Disclosed are compounds of the formula wherein: W is NH, S, SO, or SO 2 ; R 2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R 4 and R 6 are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R 8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R 8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula I.

  该专利涉及的化合物的化学式为：其中：W代表NH、S、SO或SO2；R2代表（未）取代的芳基、（未）取代的杂环芳基或（未）取代的碳环或杂环；Q代表氢或低碳基；R4和R6相同或不同，代表氢、卤素、低碳基、低氧代基、（未）取代的芳基、（未）取代的杂环芳基、（未）取代的芳基烷基或（未）取代的杂环芳基烷基；R8代表氢、低碳基或含有3-7个成员的（未）取代的碳环基团，其中最多两个成员可选地是氧和氮的杂原子；或R8代表（未）取代的芳基、（未）取代的杂环芳基、（未）取代的芳基烷基或（未）取代的杂环芳基烷基。这些化合物可用于治疗细胞增殖性疾病，如癌症和再狭窄。这些化合物是强效的cyclin-dependent kinases（cdks）和生长因子介导的激酶的抑制剂。本发明还提供了一种治疗细胞增殖性疾病的方法。本发明还提供了一种含有化合物I的药学上可接受的组合物。
• US7169778B2
  申请人：——

  公开号：US7169778B2

  公开（公告）日：2007-01-30
• [EN] PTERIDINONES AS KINASE INHIBITORS<br/>[FR] PTERIDINONES UTILISEES COMME INHIBITEURS DE KINASES
  申请人：WARNER LAMBERT CO

  公开号：WO2001019825A1

  公开（公告）日：2001-03-22

  Disclosed are compounds of Formulae (Ia), (Ib), (Ic), (Id) wherein: W is NH, S, SO, or SO2; R2 is (un)substituted aryl, (un)substituted heteroaryl, or (un)substituted carbocycle or heterocycle; Q is hydrogen or lower alkyl; R?4 and R6¿ are the same or different and represent hydrogen, halogen, lower alkyl, lower alkoxy, (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl; and R8 is hydrogen, lower alkyl or an (un)substituted carbocyclic group containing from 3-7 members, up to two of which members are optionally hetero atoms selected from oxygen and nitrogen; or R8 is (un)substituted aryl, (un)substituted heteroaryl, (un)substituted arylalkyl or (un)substituted heteroarylalkyl. These compounds are useful for treating cell proliferative disorders, such as cancer and restenosis. These compounds are potent inhibitors of cyclin-dependent kinases (cdks) and growth factor-mediated kinases. The present invention also provides a method of treating cell proliferative disorders. Also provided by the present invention is a pharmaceutically acceptable composition containing a compound of Formula (I).
• Development of pteridin-7(8H)-one analogues as highly potent cyclin-dependent kinase 4/6 inhibitors: Synthesis, structure-activity relationship, and biological activity
  作者：Qiu Li、Lin Chen、Yu-Feng Ma、Xie-Er Jian、Jia-Hao Ji、Wen-Wei You、Pei-Liang Zhao

  DOI：10.1016/j.bioorg.2021.105324

  日期：2021.11