2-chloro-9-cyclopentyl-7-ethyl-7-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one | 1157849-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 嘧啶二氮卓类
• 英文名称: 2-chloro-9-cyclopentyl-7-ethyl-7-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
• 英文别名: 2-Chloro-9-cyclopentyl-7-ethyl-7-methyl-5,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
• CAS: 1157849-33-6
• 化学式: C₁₅H₂₁ClN₄O
• 分子量: 308.811
• InChiKey: APNWLGGWYXHLED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  58.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-chloro-9-cyclopentyl-7-ethyl-7-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one 、 4-氨基-3-甲氧基苯甲酸 在 盐酸 作用下， 以 水 、 异丙醇 为溶剂， 反应 20.0h， 生成 4-(9-cyclopentyl-7-ethyl-5,7-dimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid
  参考文献：
  名称：

  [EN] POLO-LIKE KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE DE TYPE POLO

  摘要：

  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。

  公开号：

  WO2009067547A1
• 作为产物：
  描述：

  ethyl 3-((2-chloro-5-nitropyrimidin-4-yl)(cyclopentyl)amino)-2-ethyl-2-methylpropanoate 在 盐酸 、 铁粉 、 溶剂黄146 、 sodium hydroxide 、 水 作用下， 以 水 、 乙酸乙酯 为溶剂， 反应 4.0h， 以50%的产率得到2-chloro-9-cyclopentyl-7-ethyl-7-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin-6(7H)-one
  参考文献：
  名称：

  [EN] POLO-LIKE KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASE DE TYPE POLO

  摘要：

  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。

  公开号：

  WO2009067547A1

文献信息

• [EN] IRE1 SMALL MOLECULE INHIBITORS<br/>[FR] INHIBITEURS À PETITES MOLÉCULES D'IRE1
  申请人：UNIV CORNELL

  公开号：WO2020117634A1

  公开（公告）日：2020-06-11

  Provided herein are small molecule inhibitors for the targeting or IRE1 protein family members. Binding may be direct or indirect. Further provided herein are methods of using IRE1 small molecule inhibitors for use in treating or ameliorating cancer in a subject. Moreover, IRE1 small molecule inhibitors described herein are for the treatment of cancer, where the cancer is a solid or hematologic cancer.

  本文提供了用于靶向IRE1蛋白家族成员的小分子抑制剂。结合可以是直接的或间接的。此外，本文提供了使用IRE1小分子抑制剂用于治疗或改善患者癌症的方法。此外，本文描述的IRE1小分子抑制剂用于治疗癌症，其中癌症是实体或血液系统的癌症。
• 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。
• Monosubstituted or polysubstituted amphiphilic hypocrellin derivative, and preparation method and application thereof
  申请人：Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences

  公开号：US11154548B2

  公开（公告）日：2021-10-26

  The invention discloses a monosubstituted or polysubstituted amphiphilic hypocrellin derivative, and a preparation method and application thereof. The amphiphilic hypocrellin derivative substituted by a group containing PEG, a quaternary ammonium salt or the like prepared according to the invention has an obvious red shift in its absorption spectrum and a significantly enhanced molar extinction coefficient, compared with the parent hypocrellin, can efficiently produce singlet state oxygen and other reactive oxygen species under photosensitive conditions; has different amphiphilicities and increased biocompatibility with cells or tissues by regulating its hydrophilicity and hydrophobicity; can meet the requirements of different clinical drugs, and solves the requirements of different drug delivery methods for different drug hydrophilicity and lipophilicity. Under identical conditions, the amphiphilic hypocrellin derivative photosensitizer according to the invention has higher ability to photodynamically inactivate tumor cells than the first and second generation commercial photosensitizers.

  本发明公开了一种单取代或多取代的两亲性次黄嘌呤衍生物及其制备方法和应用。根据本发明制备的被含有 PEG、季铵盐等基团取代的两性次黄嘌呤衍生物与母体次黄嘌呤相比，其吸收光谱具有明显的红移，摩尔消光系数显著增强，在光敏条件下能有效地产生单线态氧和其他活性氧；具有不同的两亲性，通过调节其亲水性和疏水性，增加与细胞或组织的生物相容性；可满足不同临床用药的要求，解决不同给药方法对不同药物亲水性和亲油性的要求。在相同条件下，本发明的两亲性次黄嘌呤衍生物光敏剂对肿瘤细胞的光动力灭活能力高于第一代和第二代商品光敏剂。
• Film forming composition and film forming method using the same
  申请人：Merck Patent GmbH

  公开号：US11161982B2

  公开（公告）日：2021-11-02

  [Problem] To provide a film forming composition and a film forming method capable of forming a film excellent in gas barrier properties. [Means for Solution] A film forming composition comprising a polysilazane, an organic solvent and an additive having a specific structure, and a film forming method comprising applying the composition on a substrate and exposing the composition to light. This specific additive is represented by a specific general formula among those having a nonconjugated cyclic structure composed of atoms selected from the group consisting of carbon, nitrogen and oxygen in the structure.

  [问题]提供一种成膜组合物和一种成膜方法，能够形成气体阻隔性能优异的薄膜。[解决方法]一种成膜组合物，由聚硅氧烷、有机溶剂和具有特定结构的添加剂组成；以及一种成膜方法，包括将该组合物涂在基底上并将该组合物曝光。该特定添加剂由具有非共轭环状结构的添加剂中的一个特定通式表示，该结构中的原子选自碳、氮和氧组成的组。
• FILM FORMING COMPOSITION AND FILM FORMING METHOD USING THE SAME
  申请人：Merck Patent GmbH

  公开号：US20210115253A1

  公开（公告）日：2021-04-22

  [Problem] To provide a film forming composition and a film forming method capable of forming a film excellent in gas barrier properties. [Means for Solution] A film forming composition comprising a polysilazane, an organic solvent and an additive having a specific structure, and a film forming method comprising applying the composition on a substrate and exposing the composition to light. This specific additive is represented by a specific general formula among those having a nonconjugated cyclic structure composed of atoms selected from the group consisting of carbon, nitrogen and oxygen in the structure.