3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one | 1198170-85-2

• 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: 3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one
• 英文别名: 3-[2-(2-aminopyrimidin-5-yl)-6-morpholin-4-ylpurin-9-yl]-1-(4-methylsulfonylpiperazin-1-yl)propan-1-one
• CAS: 1198170-85-2
• 化学式: C₂₁H₂₈N₁₀O₄S
• 分子量: 516.584
• InChiKey: NITGMBBDIUJMRW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  174
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3-(2-(2-(tert-butoxycarbonylamino)pyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)propanoic acid 、 1-甲烷磺酰哌嗪 在 3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one 作用下， 生成 3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one
  参考文献：
  名称：

  Purine PI3K inhibitor compounds and methods of use

  摘要：

  公式I中的嘌呤化合物，包括立体异构体、几何异构体、互变异构体、溶剂化合物、代谢产物和药学上可接受的盐，可用于抑制脂质激酶，包括p110α和其他PI3K的亚型，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用公式I化合物进行体外、原位和体内诊断、预防或治疗哺乳动物细胞中的这种疾病或相关病理条件的方法。

  公开号：

  US08445487B2
• 作为试剂：
  描述：

  3-(2-(2-(tert-butoxycarbonylamino)pyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)propanoic acid 、 1-甲烷磺酰哌嗪 在 3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one 作用下， 生成 3-(2-(2-aminopyrimidin-5-yl)-6-morpholino-9H-purin-9-yl)-1-(4-(methylsulfonyl)piperazin-1-yl)propan-1-one
  参考文献：
  名称：

  PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE

  摘要：

  公式I中的嘌呤化合物，包括立体异构体、几何异构体、互变异构体、溶剂化物、代谢物和其药学上可接受的盐，可用于抑制脂质激酶，包括p110 alpha和其他PI3K同工酶，并用于治疗由脂质激酶介导的癌症等疾病。公开了使用公式I中的化合物进行哺乳动物细胞的体外、原位和体内诊断、预防或治疗此类疾病或相关病理条件的方法。

  公开号：

  US20090318411A1

文献信息

• [EN] PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE<br/>[FR] COMPOSÉS INHIBITEURS DE LA PI3K DE TYPE PURINE ET PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2009146406A1

  公开（公告）日：2009-12-03

  Purine compounds of Formula I, and including stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including p110 alpha and other isoforms of PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  公式I的嘌呤化合物，包括立体异构体、几何异构体、互变异构体、溶剂化合物、代谢物和其药用可接受盐，可用于抑制脂质激酶，包括p110 alpha和PI3K的其他同工酶，并用于治疗由脂质激酶介导的癌症等疾病。揭示了使用公式I的化合物在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗这类疾病或相关病理状况的方法。
• Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US10548876B2

  公开（公告）日：2020-02-04

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof
  申请人：Race Oncology Ltd.

  公开号：US11147800B2

  公开（公告）日：2021-10-19

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.

  本发明描述了通过提高单一疗法的疗效或减少副作用来改善以前因治疗效果不理想而受到限制的治疗剂的疗效的方法和组合物。这些方法和组合物尤其适用于双蒽或其衍生物、类似物或原药。
• COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF
  申请人：UPDATE PHARMA INC.

  公开号：US20160166546A1

  公开（公告）日：2016-06-16

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.
• COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF
  申请人：GARNER William J.

  公开号：US20160220537A1

  公开（公告）日：2016-08-04

  The present invention describes methods and compositions for improving the therapeutic efficacy of therapeutic agents previously limited by suboptimal therapeutic performance by either improving efficacy as monotherapy or reducing side effects. Such methods and compositions are particularly applicable to bisantrene or derivatives, analogs, or prodrugs thereof.