2-chIoro-N-cyclopentyl-5-nitro-pyrimidin-4-amine | 330551-19-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-chIoro-N-cyclopentyl-5-nitro-pyrimidin-4-amine
• 英文别名: 4-chloro-2-(cyclopentylamino)-5-nitropyrimidine；4-Chloro-2-(cyclopentylamino)-5-nitropyrimidine；4-chloro-N-cyclopentyl-5-nitropyrimidin-2-amine
• CAS: 330551-19-4
• 化学式: C₉H₁₁ClN₄O₂
• mdl: MFCD26397174
• 分子量: 242.665
• InChiKey: ARHLSAMPBVGBKH-UHFFFAOYSA-N

物化性质

• 沸点：
  427.3±48.0 °C(Predicted)
• 密度：
  1.480±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.555
• 拓扑面积：
  83.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-chIoro-N-cyclopentyl-5-nitro-pyrimidin-4-amine 在 水 、 tin(ll) chloride 、 氨 作用下， 以 乙酸乙酯 、 水 为溶剂， 反应 1.5h， 以88%的产率得到2-chloro-N-cyclopentyl-pyrimidine-4,5-diamine
  参考文献：
  名称：

  [EN] 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS
  [FR] COMPOSÉS CHIMIQUES 1-994

  摘要：

  该发明涉及化合物的化学式（I）或其药学上可接受的盐，这些化合物具有对纺锤体检查点激酶：酪氨酸苏氨酸激酶（TTK）/单极纺锤体1（Mpsl）的抑制活性，因此在诸如人类之类的恒温动物中对其抗癌效果有用。该发明还涉及制造所述化合物的过程，含有它们的药物组合物，以及它们在制造用于治疗由TTK/Mpsl介导的疾病的药物时的使用，可以单独使用或与其他抗增殖剂组合使用。

  公开号：

  WO2009024824A1
• 作为产物：
  描述：

  环戊胺 、 2,4-二氯-5 硝基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 乙酸乙酯 为溶剂， 反应 16.5h， 以100%的产率得到2-chIoro-N-cyclopentyl-5-nitro-pyrimidin-4-amine
  参考文献：
  名称：

  [EN] 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS
  [FR] COMPOSÉS CHIMIQUES 1-994

  摘要：

  该发明涉及化合物的化学式（I）或其药学上可接受的盐，这些化合物具有对纺锤体检查点激酶：酪氨酸苏氨酸激酶（TTK）/单极纺锤体1（Mpsl）的抑制活性，因此在诸如人类之类的恒温动物中对其抗癌效果有用。该发明还涉及制造所述化合物的过程，含有它们的药物组合物，以及它们在制造用于治疗由TTK/Mpsl介导的疾病的药物时的使用，可以单独使用或与其他抗增殖剂组合使用。

  公开号：

  WO2009024824A1

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).