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).
• [EN] 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] COMPOSÉS CHIMIQUES 1-994
  申请人：ASTRAZENECA AB

  公开号：WO2009024824A1

  公开（公告）日：2009-02-26

  The invention relates to chemical compounds of the formula (I), or a pharmaceutically acceptable salt thereof, which possess inhibitory activity against the spindle checkpoint kinase: Tyrosine Threonine Kinase (TTK)/monopolar spindle 1 (Mpsl) and are accordingly useful for their anti-cancer effect in a warm-blooded animal such as man. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them, and to their use in the manufacture of a medicament for the treatment of conditions mediated by TTK/Mpsl, for use either alone or in combination with other anti-pro liferative agents.

  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。