4-(8-bromo-2-chloro-9-methyl-9H-purin-6-yl)morpholine | 1354955-26-2

• 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: 4-(8-bromo-2-chloro-9-methyl-9H-purin-6-yl)morpholine
• 英文别名: 4-(8-bromo-2-chloro-9-methylpurin-6-yl)morpholine
• CAS: 1354955-26-2
• 化学式: C₁₀H₁₁BrClN₅O
• 分子量: 332.587
• InChiKey: PDKRVVRZVIRBGH-UHFFFAOYSA-N

物化性质

• 沸点：
  438.6±55.0 °C(Predicted)
• 密度：
  1.94±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  56.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(8-bromo-2-chloro-9-methyl-9H-purin-6-yl)morpholine 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium carbonate 、 一水合肼 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 4.0h， 生成 4-(2-hydrazinyl-9-methyl-8-(pyridin-4-yl)-9H-purin-6-yl)morpholine
  参考文献：
  名称：

  [EN] PURINES AND METHODS OF THEIR USE
  [FR] PURINES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本文披露了在治疗神经系统疾病中有用的化合物。这些化合物可以单独或与其他药用活性剂结合使用，用于治疗或预防神经系统疾病。

  公开号：

  WO2021247841A1
• 作为产物：
  描述：

  4-(2-氯-9-甲基嘌呤-6-基)吗啉 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 4-(8-bromo-2-chloro-9-methyl-9H-purin-6-yl)morpholine
  参考文献：
  名称：

  [EN] PURINES AND METHODS OF THEIR USE
  [FR] PURINES ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  本文披露了在治疗神经系统疾病中有用的化合物。这些化合物可以单独或与其他药用活性剂结合使用，用于治疗或预防神经系统疾病。

  公开号：

  WO2021247841A1

文献信息

• FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTCIAL COMPOSITION, AND USES THEREOF
  申请人：SHANGHAI YINGLI PHARMACEUTICAL CO., LTD

  公开号：US20160244432A1

  公开（公告）日：2016-08-25

  Disclosed are a fused heterocyclic compound, a preparation method therefor, a pharmaceutical composition, and uses thereof. The fused heterocyclic compound is shown in formula I, formula II, or formula III. The preparation method of the fused heterocyclic compound and/or the pharmaceutically acceptable salt thereof in the present invention comprises three synthesizing routes. The present invention also provides a pharmaceutical composition of the fused heterocyclic compound, the pharmaceutical composition containing one or more of the fused heterocyclic compound shown in formula I, formula II, or formula III, the pharmaceutically acceptable salt thereof, hydrates, solvent compounds, polymorphs and prodrugs thereof, and a pharmaceutically acceptable carrier. The present invention also relates to an application of the fused heterocyclic compound and/or the pharmaceutical composition in preparing kinase inhibitors and in preparing drugs for preventing and treating diseases related to kinase. The fused heterocyclic compound of the present invention has selective inhibition function on PI3Kδ, and can be used for preparing drugs for preventing and treating cell proliferation diseases such as cancers, infections, inflammations, or autoimmune diseases.

  揭示了一种融合杂环化合物，其制备方法，药物组合物及其用途。所述融合杂环化合物如公式I、公式II或公式III所示。本发明的所述融合杂环化合物和/或其药用可接受盐的制备方法包括三种合成途径。本发明还提供了一种包含融合杂环化合物的药物组合物，所述药物组合物含有公式I、公式II或公式III所示的一个或多个融合杂环化合物，其药用可接受盐、水合物、溶剂化合物、多型体和前药，以及药用可接受载体。本发明还涉及应用所述融合杂环化合物和/或药物组合物制备激酶抑制剂以及制备用于预防和治疗与激酶相关疾病的药物。本发明的融合杂环化合物对PI3Kδ具有选择性抑制功能，可用于制备用于预防和治疗细胞增殖性疾病如癌症、感染、炎症或自身免疫疾病的药物。
• PURINE COMPOUNDS SELECTIVE FOR PI3K P110 DELTA, AND METHODS OF USE
  申请人：Li Jun

  公开号：US20120015931A1

  公开（公告）日：2012-01-19

  The invention provides compounds having the general formula: and stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 and n are defined herein, compositions including the compounds and method of using the compounds to treat a disease or disorder mediated by the p110 delta isoform of PI3 kinase selected from immune disorders, cancer, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  该发明提供了具有一般公式的化合物：及其立体异构体、互变异构体或药用可接受的盐，其中R1、R2、R3、R4和n在此处定义，包括这些化合物的组合物和使用这些化合物治疗由PI3激酶p110 δ异构体介导的疾病或紊乱的方法，所述疾病或紊乱选自免疫紊乱、癌症、心血管疾病、病毒感染、炎症、代谢/内分泌功能紊乱和神经系统疾病。
• Purine compounds selective for PI3K P110 delta, and methods of use
  申请人：F. Hoffmann la Roche AG

  公开号：US08293736B2

  公开（公告）日：2012-10-23

  The invention provides compounds having the general formula: and stereoisomers, tautomers, or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4 and n are defined herein, compositions including the compounds and method of using the compounds to treat a disease or disorder mediated by the p110 delta isoform of PI3 kinase selected from immune disorders, cancer, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  本发明提供具有一般式的化合物：及其立体异构体、互变异构体或药学上可接受的盐，其中R1、R2、R3、R4和n的定义如下，包括这些化合物的组合物和使用这些化合物治疗由PI3激酶p110 delta亚型介导的疾病或紊乱的方法，所述疾病或紊乱包括免疫紊乱、癌症、心血管疾病、病毒感染、炎症、代谢/内分泌功能紊乱和神经系统紊乱。
• FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF
  申请人：Shanghai Yingli Pharmaceutical Co. Ltd.

  公开号：EP3059238A1

  公开（公告）日：2016-08-24

  Disclosed are a fused heterocyclic compound, a preparation method therefor, a pharmaceutical composition, and uses thereof. The fused heterocyclic compound is shown in formula I, formula II, or formula III. The preparation method of the fused heterocyclic compound and/or the pharmaceutically acceptable salt thereof in the present invention comprises three synthesizing routes. The present invention also provides a pharmaceutical composition of the fused heterocyclic compound, the pharmaceutical composition containing one or more of the fused heterocyclic compound shown in formula I, formula II, or formula III, the pharmaceutically acceptable salt thereof, hydrates, solvent compounds, polymorphs and prodrugs thereof, and a pharmaceutically acceptable carrier. The present invention also relates to an application of the fused heterocyclic compound and/or the pharmaceutical composition in preparing kinase inhibitors and in preparing drugs for preventing and treating diseases related to kinase. The fused heterocyclic compound of the present invention has selective inhibition function on PI3K δ , and can be used for preparing drugs for preventing and treating cell proliferation diseases such as cancers, infections, inflammations, or autoimmune diseases.

  公开了一种融合杂环化合物、其制备方法、药物组合物及其用途。融合杂环化合物如式 I、式 II 或式 III 所示。本发明中的融合杂环化合物和/或其药学上可接受的盐的制备方法包括三种合成路线。本发明还提供了一种融合杂环化合物的药物组合物，该药物组合物含有一种或多种式I、式II或式III所示的融合杂环化合物、其药学上可接受的盐、其水合物、溶剂化物、多晶型物和原药以及药学上可接受的载体。本发明还涉及融合杂环化合物和/或药物组合物在制备激酶抑制剂和制备预防和治疗与激酶相关疾病的药物中的应用。本发明的融合杂环化合物对 PI3K δ 具有选择性抑制作用，可用于制备预防和治疗癌症、感染、炎症或自身免疫性疾病等细胞增殖疾病的药物。
• PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE
  申请人：F.Hoffmann-La Roche AG

  公开号：EP2593455B1

  公开（公告）日：2015-03-18