methyl 3-[(2-chloro-5-oxidoazonoyl-pyrimidin-4-yl)-cyclopentyl-amino]propanoate | 946825-96-3

• 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: methyl 3-[(2-chloro-5-oxidoazonoyl-pyrimidin-4-yl)-cyclopentyl-amino]propanoate
• 英文别名: Methyl 3-(N-cyclopentyl-N-(2-chloro-5-nitropyrimidin-4-yl)amino)propionate；methyl 3-[cyclopentyl(2-chloro-5-nitropyrimidin-4-yl)amino]propanoate；methyl 3-[(2-chloro-5-nitropyrimidin-4-yl)-cyclopentylamino]propanoate
• CAS: 946825-96-3
• 化学式: C₁₃H₁₇ClN₄O₄
• 分子量: 328.755
• InChiKey: FDKVUTDHFXROQC-UHFFFAOYSA-N

物化性质

• 沸点：
  511.5±45.0 °C(Predicted)
• 密度：
  1.396±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 3-[(2-chloro-5-oxidoazonoyl-pyrimidin-4-yl)-cyclopentyl-amino]propanoate 在 盐酸 、 铁粉 、 potassium carbonate 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 24.0h， 生成 2-chloro-9-cyclopentyl-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one
  参考文献：
  名称：

  [EN] NOVEL PLK1 DEGRADATION INDUCING COMPOUND
  [FR] NOUVEAU COMPOSÉ INDUISANT LA DÉGRADATION DE PLK1

  摘要：

  The present disclosure relates to a novel PLK1 degradation inducing compound, a method for preparing the same, and the use thereof. The compounds of the present disclosure exhibit an effect of inducing PLK1 degradation. Therefore, the compounds of the present disclosure may be effectively utilized for preventing or treating PLK1-related diseases.

  公开号：

  WO2023017446A1
• 作为产物：
  描述：

  环戊酮 在 sodium acetate 、 三乙酰氧基硼氢化钠 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 methyl 3-[(2-chloro-5-oxidoazonoyl-pyrimidin-4-yl)-cyclopentyl-amino]propanoate
  参考文献：
  名称：

  [EN] NOVEL PLK1 DEGRADATION INDUCING COMPOUND
  [FR] NOUVEAU COMPOSÉ INDUISANT LA DÉGRADATION DE PLK1

  摘要：

  The present disclosure relates to a novel PLK1 degradation inducing compound, a method for preparing the same, and the use thereof. The compounds of the present disclosure exhibit an effect of inducing PLK1 degradation. Therefore, the compounds of the present disclosure may be effectively utilized for preventing or treating PLK1-related diseases.

  公开号：

  WO2023017446A1

文献信息

• NOVEL COMPOUNDS
  申请人：HALSALL Christopher Thomas

  公开号：US20080009482A1

  公开（公告）日：2008-01-10

  There is provided a compound of formula (I): processes for the manufacture thereof, pharmaceutical compositions thereof and uses in therapy.

  提供了一个化合物的化学式(I)： 其制备方法，药物组合物以及在治疗中的用途。
• [EN] POLO-LIKE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE DE TYPE POLO
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009067547A1

  公开（公告）日：2009-05-28

  Compounds of the following formula are provided for use with kinases, wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供以下公式的化合物供激酶使用，其中变量如本文所定义。还提供包含这些化合物的药物组合物、试剂盒和制造物品；用于制备这些化合物的方法和中间体；以及使用这些化合物的方法。
• [EN] PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINE COMME INHIBITEURS DE PROTÉINE KINASES
  申请人：CYCLACEL LTD

  公开号：WO2009040556A1

  公开（公告）日：2009-04-02

  The present invention relates to a compound of formula (VII)I, or a pharmaceutically acceptable salt or ester thereof, wherein: X is NR7; Y is O or N-(CH2)nR19; n is 1, 2 or 3; m is 1 or 2; R1 and R2 are each independently H, alkyl or cycloalkyl; R4 and R4' are each independently H or alkyl; or R4 and R4' together form a spiro cycloalkyl group; R19 is H, alkyl, aryl or a cycloalkyl group; R6 is OR8 or halogen; and R7 and R8 are each independently H or alkyl. Further aspects relate to pharmaceutical compositions comprising said compounds and use therefore in the treatment of proliferative disorders and the like.

  本发明涉及公式(VII)I的化合物，或其药学上可接受的盐或酯，其中：X为NR7；Y为O或N-(CH2)nR19；n为1、2或3；m为1或2；R1和R2分别独立地为H、烷基或环烷基；R4和R4'分别独立地为H或烷基；或者R4和R4'一起形成螺环烷基基团；R19为H、烷基、芳基或环烷基基团；R6为OR8或卤素；而R7和R8各自独立地为H或烷基。进一步方面涉及包括上述化合物的药物组合物以及其在治疗增殖性疾病等方面的用途。
• Dihydrodiazepines useful as inhibitors of protein kinases
  申请人：Kay David

  公开号：US20080167289A1

  公开（公告）日：2008-07-10

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及一种作为蛋白激酶抑制剂的化合物。该发明还提供包含所述化合物的药用合适组合物，并提供使用这些组合物在治疗各种疾病、状况或障碍中的方法。该发明还提供制备本发明化合物的方法。
• POLO-LIKE KINASE INHIBITORS
  申请人：Cao Sheldon X.

  公开号：US20090291938A1

  公开（公告）日：2009-11-26

  Compounds of the following formula are provided for use with kinases: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising such compounds; methods and intermediates useful for making the compounds; and methods of using said compounds.

  提供了以下公式的化合物，用于与激酶一起使用：其中变量的定义如下。还提供了包含这些化合物的制药组合物、工具包和制造物品；用于制造这些化合物的方法和中间体；以及使用这些化合物的方法。