9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide | 1022155-61-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
• 英文别名: 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
• CAS: 1022155-61-8
• 化学式: C₁₇H₁₇N₅O₃
• 分子量: 339.354
• InChiKey: OWYNYCCFQVSEKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  ethyl 9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 反应 18.0h， 以72%的产率得到9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
  参考文献：
  名称：

  WO2008/51494

  摘要：

  公开号：

文献信息

• Heteroaryl compounds, compositions thereof, and methods of treatment therewith
  申请人：Mortensen Deborah Sue

  公开号：US20090042890A1

  公开（公告）日：2009-02-12

  Provided herein are Heteroaryl Compounds having the following structure: wherein R 1 , R 3 , R 4 , L, X, Y, A and B are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, metabolic conditions and conditions treatable or preventable by inhibition of a kinase pathway comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof.

  提供以下结构的杂环芳基化合物：其中R1、R3、R4、L、X、Y、A和B的定义如下，包括有效量的杂环芳基化合物的组合物以及用于治疗或预防癌症、炎症性疾病、免疫疾病、代谢疾病以及可通过抑制激酶途径治疗或预防的疾病的方法，包括向需要治疗的患者中给予有效量的杂环芳基化合物。
• METHODS OF TREATMENT USING HETEROARYL COMPOUNDS AND COMPOSITIONS THEREOF
  申请人：Mortensen Deborah Sue

  公开号：US20110224217A1

  公开（公告）日：2011-09-15

  Provided herein are Heteroaryl Compounds having the following structure: wherein R 1 , R 3 , R 4 , L, X, Y, A and B are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, metabolic conditions and conditions treatable or preventable by inhibition of a kinase pathway comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof.

  本文提供具有以下结构的杂环芳基化合物：其中R1、R3、R4、L、X、Y、A和B的定义如本文所述，包含有效量的杂环芳基化合物的组合物以及治疗或预防癌症、炎症性疾病、免疫疾病、代谢性疾病以及可通过抑制激酶通路治疗或预防的疾病的方法，包括向需要治疗的患者投与有效量的杂环芳基化合物。
• Methods of treatment using heteroaryl compounds and compositions thereof
  申请人：Mortensen Deborah Sue

  公开号：US08383634B2

  公开（公告）日：2013-02-26

  Provided herein are Heteroaryl Compounds having the following structure: wherein R1, R3, R4, L, X, Y, A and B are as defined herein, compositions comprising an effective amount of a Heteroaryl Compound and methods for treating or preventing cancer, inflammatory conditions, immunological conditions, metabolic conditions and conditions treatable or preventable by inhibition of a kinase pathway comprising administering an effective amount of a Heteroaryl Compound to a patient in need thereof.

  本文提供了具有以下结构的杂环芳基化合物： 其中，R1、R3、R4、L、X、Y、A和B的定义如本文所述，还提供了包含有效量的杂环芳基化合物的组合物，以及用于治疗或预防癌症、炎症性疾病、免疫性疾病、代谢性疾病和通过抑制激酶通路可治疗或预防的疾病的方法，包括向需要治疗的患者施用有效量的杂环芳基化合物。
• Application of an “inhalation by design” approach to the identification and in-vitro evaluation of novel purine based PI3Kδ inhibitors
  作者：Roberta Mazzucato、Marinella Roberti、Anna Maria Capelli、Fabio Rancati、Matteo Biagetti、Claudio Fiorelli、Paolo Bruno、Paolo Ronchi、Serena Bertolini、Mauro Corsi、Daniele Pala

  DOI：10.1016/j.ejmech.2023.115331

  日期：2023.6

  describe our efforts to identify new PI3Kδ inhibitors following an “inhalation by design” strategy. Starting from the identification of a purine scaffold, we carried out a preliminary SAR expansion which led to the identification of a new hit characterized by a high enzymatic potency and moderate PI3Kδ selectivity. A subsequent optimization led to novel purine based derivatives with favorable in vitro ADME

  PI3Kδ 是一种脂质激酶，在气道炎症中起着关键作用。因此，抑制 PI3Kδ 可被认为是治疗慢性呼吸系统疾病如哮喘和慢性阻塞性肺病 (COPD) 的一种有价值的策略。在这项工作中，我们描述了我们按照​​“设计吸入”策略确定新的 PI3Kδ 抑制剂的努力。从嘌呤支架的鉴定开始，我们进行了初步的 SAR 扩展，从而鉴定了一种新的命中物，其特点是具有高酶促效力和适度的 PI3Kδ 选择性。随后的优化导致新型嘌呤衍生物具有良好的体外ADME 特征，这可能代表未来开发新型吸入候选药物的有希望的起点。
• HETEROARYL COMPOUNDS, COMPOSITIONS THEREOF, AND USE THEREOF AS PROTEIN KINASE INHIBITORS
  申请人：Signal Pharmaceuticals LLC

  公开号：EP2078018B1

  公开（公告）日：2012-03-14