{2-[4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxycarbonylamino]-ethyl}-phosphonic acid | 851039-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异香豆素
• 英文名称: {2-[4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxycarbonylamino]-ethyl}-phosphonic acid
• 英文别名: 2-[[(E)-4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-2-methylbut-2-enoxy]carbonylamino]ethylphosphonic acid
• CAS: 851039-67-3
• 化学式: C₁₉H₂₆NO₈P
• 分子量: 427.391
• InChiKey: OHRBKGMEGNJSMJ-VZUCSPMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  142
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 {2-[4-(6-ethyl-4-hydroxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-2-methyl-but-2-enyloxycarbonylamino]-ethyl}-phosphonic acid
  参考文献：
  名称：

  WO2006/47661

  摘要：

  公开号：

文献信息

• Therapeutic phosphonate derivatives
  申请人：Cho Aesop

  公开号：US20070027116A1

  公开（公告）日：2007-02-01

  Phosphorus substituted mycophenolate derivatives with anti-cancer, anti-viral, anti-inflammatory and anti-tissue/organ transplant rejection properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit tumor growth, viral growth, inflammation, and tissue/organ transplant rejection and/or are useful therapeutically for the treatment or prevention of cancer, viral infection, inflammation and tissue/organ transplant rejection, as well as in assays for the detection of cancer, viral infection, inflammation and tissue/organ transplant rejection.

  公开了含有抗癌、抗病毒、抗炎症和抗组织/器官移植排斥作用的磷取代的麦考酚酯衍生物，具有治疗用途和其他工业用途。这些组合物抑制肿瘤生长、病毒生长、炎症和组织/器官移植排斥，或在治疗或预防癌症、病毒感染、炎症和组织/器官移植排斥方面有用，以及在癌症、病毒感染、炎症和组织/器官移植排斥检测中有用。
• Phosphonate Derivatives of Mycophenolic Acid
  申请人：Watkins William J.

  公开号：US20080171724A1

  公开（公告）日：2008-07-17

  Phosphorus substituted mycophenolate oxime derivatives with anti-cancer, anti-viral, anti-inflammatory anti-tissue/organ transplant rejection properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit tumor growth, viral growth, inflammation, and tissue/organ transplant rejection and/or are useful therapeutically for the treatment or prevention of cancer, viral infection, inflammation and tissue/organ transplant rejection, as well as in assays for the detection of cancer, viral infection, inflammation and tissue/organ transplant rejection.

  本发明揭示了磷取代的霉酚酸酯衍生物，具有抗癌、抗病毒、抗炎、抗组织/器官移植排斥等性质，可用作治疗剂和其他工业用途。这些组合物可抑制肿瘤生长、病毒生长、炎症和组织/器官移植排斥，或在治疗或预防癌症、病毒感染、炎症和组织/器官移植排斥方面有用，同时还可用于检测癌症、病毒感染、炎症和组织/器官移植排斥的试验中。
• INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORS AS PHOSPHONATE DERIVATIVES
  申请人：GILEAD SCIENCES, INC.

  公开号：EP1680129A2

  公开（公告）日：2006-07-19
• PHOSPHONATE DERIVATIVES OF MYCOPHENOLIC ACID
  申请人：GILEAD SCIENCES, INC.

  公开号：EP1809277A2

  公开（公告）日：2007-07-25
• [EN] INOSINE MONOPHOSPHATE DEHYDROGENASE INHIBITORS AS PHOSPHONATE DERIVATIVES<br/>[FR] DERIVES DE PHOSPHONATE A USAGE THERAPEUTIQUE
  申请人：GILEAD SCIENCES INC

  公开号：WO2005039552A2

  公开（公告）日：2005-05-06

  Phosphorus substituted mycophenolate derivatives with anti-cancer, anti-viral, anti-inflammatory and anti-tissue/organ transplant rejection properties having use as therapeutics and for other industrial purposes are disclosed. The compositions inhibit tumor growth, viral growth, inflammation, and tissue/organ transplant rejection and/or are useful therapeutically for the treatment or prevention of cancer, viral infection, inflammation and tissue/organ transplant rejection, as well as in assays for the detection of cancer, viral infection, inflammation and tissue/organ transplant rejection.