3-methyl-5-phenyl-6-(9H-purin-6-ylsulfanylmethyl)-5H-isoxazolo[5,4-d]pyrimidin-4-one | 1154418-89-9

• 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-methyl-5-phenyl-6-(9H-purin-6-ylsulfanylmethyl)-5H-isoxazolo[5,4-d]pyrimidin-4-one
• 英文别名: 3-methyl-5-phenyl-6-(7H-purin-6-ylsulfanylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-one
• CAS: 1154418-89-9
• 化学式: C₁₈H₁₃N₇O₂S
• 分子量: 391.413
• InChiKey: IXAULPVQVPXAFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  139
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-[1-(6-amino-purin-9-yl)-ethyl]-3-bromo-1-methyl-5-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one 、 6-chloromethyl-3-methyl-5-phenyl-5H-isoxazolo[5,4-d]pyrimidin-4-one 、 6-巯基嘌呤(一水合物) 、 potassium carbonate 在 acetonitrile-water 作用下， 以 N,N-二甲基甲酰胺 、 溶剂黄146 为溶剂， 生成 3-methyl-5-phenyl-6-(9H-purin-6-ylsulfanylmethyl)-5H-isoxazolo[5,4-d]pyrimidin-4-one
  参考文献：
  名称：

  INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA

  摘要：

  本发明揭示了抑制PI3Kδ活性的化合物，包括选择性抑制PI3Kδ活性的化合物。本发明还揭示了抑制磷脂酰肌醇3-激酶δ亚型（PI3Kδ）活性的方法，以及使用这些化合物治疗疾病的方法，例如免疫和炎症紊乱，其中PI3Kδ在白细胞功能中发挥作用。

  公开号：

  US20110021541A1

文献信息

• PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS
  申请人：The U.S.A. As Represented By The Secretary, Department Of Health And Human Services

  公开号：EP2365810A2

  公开（公告）日：2011-09-21
• [EN] INHIBITORS OF HUMAN PHOSPHATIDYL-INOSITOL 3-KINASE DELTA<br/>[FR] INHIBITEURS DE PHOSPHATIDYL-INOSITOL 3-KINASE DELTA HUMAINE
  申请人：LILLY CO ELI

  公开号：WO2009064802A2

  公开（公告）日：2009-05-22

  Compounds that inhibit PI3Kδ activity, including compounds that selectively inhibit PI3Kδ activity, are disclosed. Methods of inhibiting phosphatidylinositol 3-kinase delta isoform (PI3Kδ) activity, and methods of treating diseases, such as disorders of immunity and inflammation in which PI3Kδ plays a role in leukocyte function, using the compounds also are disclosed.
• [EN] PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA-TARGETED DRUGS IN THE TREATMENT OF CNS DISORDERS<br/>[FR] MÉDICAMENTS À CIBLAGE PHOSPHATIDYLINOSITOL-3-KINASE P110 DELTA DANS LE TRAITEMENT DES TROUBLES DU SNC
  申请人：US HEALTH

  公开号：WO2010065923A2

  公开（公告）日：2010-06-10

  Methods for treating CNS disorders such as schizophrenia, psychosis and cognitive disorders using specific inhibitors of phosphatidylinositol-3-kinase p110 delta (PIK3CD) expression and/or activity are described. Methods of determining risk of CNS disorders and methods of determining treatment response are also described. An integrative systems biology approach to identify a signaling mechanism and genetic network associated with schizophrenia and with schizophrenia-associated risk variation in ErbB4. A risk pathway associated with ErbB4 genetic variation involving increased expression of a PI3K-linked ErbB4 receptor CYT-1 and a specific PI3K enzyme, PIK3CD has been identified.