(2-chloro-5-nitro-pyrimidin-4-yl)-ethyl-amine | 330550-93-1

• 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-chloro-5-nitro-pyrimidin-4-yl)-ethyl-amine
• 英文别名: 2-chloro-4-(ethylamino)-5-nitropyrimidine；2-chloro-N-ethyl-5-nitropyrimidin-4-amine
• CAS: 330550-93-1
• 化学式: C₆H₇ClN₄O₂
• 分子量: 202.6
• InChiKey: MHYPLWZTFXKBEA-UHFFFAOYSA-N

物化性质

• 沸点：
  413.1±30.0 °C(Predicted)
• 密度：
  1.493±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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-chloro-5-nitro-pyrimidin-4-yl)-ethyl-amine 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 N⁴-Ethyl-N²-(2-fluoro-phenyl)-pyrimidine-2,4,5-triamine
  参考文献：
  名称：

  The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-α production

  摘要：

  A series of C-2, C-8, and N-9 trisubstituted purine based inhibitors of TNF-alpha production are described. The most potent analogs showed low nanomolar activity against LPS-induced TNF-alpha production in a THP-1 cell based assay. The SAR of the series was optimized with the aid of X-ray co-crystal structures of these inhibitors bound with mutated p38 (mp38).

  DOI：

  10.1016/j.bmcl.2006.05.050
• 作为产物：
  描述：

  乙胺 、 2,4-二氯-5 硝基嘧啶 在 silica 、 ethyl acetate n-hexane 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 0.33h， 以to give 4.90 g (81%) of the title compound的产率得到(2-chloro-5-nitro-pyrimidin-4-yl)-ethyl-amine
  参考文献：
  名称：

  Pteridinones as kinase inhibitors

  摘要：

  本发明涉及式(Ia)，(Ib)，(Ic)，(Id)的化合物，其中：W为NH，S，SO或SO2；R2为（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为氢或低碳基；R4和R6相同或不同，表示氢，卤素，低碳基，低烷氧基，（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为氢，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为氧和氮的杂原子；或R8为（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。这些化合物是细胞周期依赖性激酶（cdks）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。

  公开号：

  US07169778B2

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。
• [EN] HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROARYLES UTILES EN TANT QU'INHIBITEURS DE KINASE RAF
  申请人：BIOGEN IDEC INC

  公开号：WO2010078408A1

  公开（公告）日：2010-07-08

  The present invention provides compounds of formula (I) useful as inhibitors of Raf protein kinase. The present invention also provides compositions thereof, and methods of treating Raf -mediated diseases.

  本发明提供了一种化合物，其化学式为（I），可用作Raf蛋白激酶的抑制剂。本发明还提供了这些化合物的组合物，以及治疗Raf介导疾病的方法。
• Purine cytokine inhibitors
  申请人：The Procter & Gamble Company

  公开号：US07256196B1

  公开（公告）日：2007-08-14

  The present invention relates to 2,8,9-substituted purines which inhibit the extracellular release of inflammatory cytokines, said cytokines responsible for one or more human or higher mammalian disease states. The present invention further relates to compositions comprising said 2,8,9-substituted purines and methods for preventing, abating, or otherwise controlling enzymes which are understood to be the active components responsible for the herein described disease states.

  本发明涉及抑制炎症细胞因子的细胞外释放的2,8,9-取代嘌呤，这些细胞因子负责一个或多个人类或更高级哺乳动物的疾病状态。本发明还涉及包含所述2,8,9-取代嘌呤的组合物以及用于预防、减轻或以其他方式控制被认为是负责所述疾病状态的活性成分的酶的方法。
• 8-HETEROARYLPURINE MNK2 INHIBITORS FOR TREATING METABOLIC DISORDERS
  申请人：Cole G. Andrew

  公开号：US20080032971A1

  公开（公告）日：2008-02-07

  Compounds of the formula are disclosed as Mnk2 inhibitors which are useful for the treatment and prevention of metabolic disorders such as obesity and diabetes.

  公式的化合物被披露为Mnk2抑制剂，可用于治疗和预防代谢性疾病，如肥胖症和糖尿病。
• 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。