9-tert-butyl-2-(3-hydroxy-phenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide | 1022155-63-0

• 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-tert-butyl-2-(3-hydroxy-phenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
• 英文别名: 9-tert-butyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
• CAS: 1022155-63-0
• 化学式: C₁₆H₁₇N₅O₃
• 分子量: 327.343
• InChiKey: REZHZXQCNPZUFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 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-tert-butyl-2-(3-hydroxy-phenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxylate 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 以11%的产率得到9-tert-butyl-2-(3-hydroxy-phenyl)-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。
• 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
• IDENTIFICATION OF LKB1 MUTATION AS A PREDICTIVE BIOMARKER FOR SENSITIVITY TO TOR KINASE INHIBITORS
  申请人：Chopra Rajesh

  公开号：US20110257167A1

  公开（公告）日：2011-10-20

  Provided herein are methods for treating and/or preventing a cancer or a tumor syndrome in a patient, comprising administering an effective amount of a TOR kinase inhibitor to a patient having cancer or a tumor syndrome, characterized by a LKB1 and/or AMPK gene or protein loss or mutation.