3-(4,6-dimorpholino-1,3,5-triazin-2-yl)benzonitrile | 1225037-33-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(4,6-dimorpholino-1,3,5-triazin-2-yl)benzonitrile
• 英文别名: 3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)benzonitrile
• CAS: 1225037-33-1
• 化学式: C₁₈H₂₀N₆O₂
• 分子量: 352.396
• InChiKey: KRUPTUCAZKPNPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  87.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二吗啉-4-基-1,3,5-三嗪 、 3-氰基苯硼酸频哪醇酯 以 ethyl acetate n-hexane 为溶剂， 反应 15.0h， 生成 3-(4,6-dimorpholino-1,3,5-triazin-2-yl)benzonitrile
  参考文献：
  名称：

  Triazine, pyrimidine and pyridine analogs and their use as therapeutic agents and diagnostic probes

  摘要：

  本发明涉及新型治疗剂和诊断探针。本发明还涉及磷脂酰肌醇3-激酶（PI3K）和哺乳动物雷帕霉素靶蛋白（mTOR）抑制剂三嗪、嘧啶和吡啶基化合物的式（I），它们的立体异构体、几何异构体、互变异构体、溶剂化物、代谢物、N-氧化衍生物、药学上可接受的盐和其前药化合物的组合物。新化合物的组合物可以单独使用或与至少一种额外的治疗剂联合使用，并与药学上可接受的载体一起使用，用于治疗由脂质激酶介导的疾病。本发明还揭示了使用式（I）化合物的方法，用于哺乳动物细胞中的体外、原位和体内诊断、预防或治疗这种疾病或相关的病理情况。 （式I）

  公开号：

  US08921361B2

文献信息

• TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES
  申请人：Cmiljanovic Vladimir

  公开号：US20110275762A1

  公开（公告）日：2011-11-10

  The invention relates to novel therapeutic agents and diagnostic probes. The invention also relates to phosphoinositide 3-kinase (PI3K) and mammalian target of rapamycin (mTOR) inhibitor triazine-, pyrimidine- and pyridine-based compoundŝ Formula (I), their stereoisomers, geometric isomers, tautomers, solvates, metabolites, N-oxide derivatives, pharmaceutically acceptable salts, and prodrugs thereof compositions of the new compounds; either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, for treating disorders 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. (Formula I)

  本发明涉及新型治疗剂和诊断探针。本发明还涉及磷脂酰肌醇3-激酶（PI3K）和哺乳动物雷帕霉素靶蛋白酶（mTOR）抑制剂三嗪基、嘧啶基和吡啶基化合物̂公式（I），它们的立体异构体、几何异构体、互变异构体、溶剂化物、代谢物、N-氧化衍生物、药学上可接受的盐以及前药的组合物；新化合物的组合物，可以单独使用或与至少一种额外的治疗剂结合，与药学上可接受的载体；以及使用新化合物的方法，可以单独使用或与至少一种额外的治疗剂结合，用于治疗由脂质激酶介导的疾病。公开了使用公式（I）化合物的方法，用于哺乳动物细胞中的体外、原位和体内诊断、预防或治疗这种疾病或相关病理条件。(公式I)
• US8921361B2
  申请人：——

  公开号：US8921361B2

  公开（公告）日：2014-12-30
• [EN] TRIAZINE, PYRIMIDINE AND PYRIDINE ANALOGS AND THEIR USE AS THERAPEUTIC AGENTS AND DIAGNOSTIC PROBES<br/>[FR] ANALOGUES DE TRIAZINE, PYRIMIDINE ET PYRIDINE ET LEUR UTILISATION EN TANT QU'AGENTS THÉRAPEUTIQUES ET SONDES DE DIAGNOSTIC
  申请人：UNIV BASEL

  公开号：WO2010052569A2

  公开（公告）日：2010-05-14

  The invention relates to novel therapeutic agents and diagnostic probes. The invention also relates to phosphoinositide 3-kinase (PI3K) and mammalian target of rapamycin (mTOR) inhibitor triazine, pyrimidine and pyridine-based compounds of Formula (I), their stereoisomers, geometric isomers, tautomers, solvates, metabolites, N-oxide derivatives, pharmaceutically acceptable salts, and prodrugs thereof compositions of the new compounds, either alone or in combination with at least one additional therapeutic agent, with a pharmaceutically acceptable carrier; and uses of the new compounds, either alone or in combination with at least one additional therapeutic agent, for treating disorders 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. (Formula I)