2-ethyl-6-[5-mercapto-4-(1-methyl-1H-indol-5-yl)-4H-[1,2,4]triazol-3-yl]-pyridine-3,5-diol | 959465-20-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-ethyl-6-[5-mercapto-4-(1-methyl-1H-indol-5-yl)-4H-[1,2,4]triazol-3-yl]-pyridine-3,5-diol
• 英文别名: 3-(6-ethyl-3,5-dihydroxypyridin-2-yl)-4-(1-methylindol-5-yl)-1H-1,2,4-triazole-5-thione
• CAS: 959465-20-4
• 化学式: C₁₈H₁₇N₅O₂S
• 分子量: 367.431
• InChiKey: MBKXXZHPXKWIOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  118
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(6-Ethyl-3,5-dimethoxy-pyridin-2-yl)-4-(1-methyl-1H-indol-5-yl)-4H-[1,2,4]triazole-3-thiol 在 吡啶盐酸盐 作用下， 反应 0.75h， 生成 2-ethyl-6-[5-mercapto-4-(1-methyl-1H-indol-5-yl)-4H-[1,2,4]triazol-3-yl]-pyridine-3,5-diol
  参考文献：
  名称：

  Triazole compounds that modulate Hsp90 activity

  摘要：

  本发明涉及替代三唑化合物和包含替代三唑化合物的组合物。该发明还涉及在需要的受试者中抑制Hsp90活性的方法，以及预防或治疗过度增殖性疾病，如癌症，的方法，包括向受试者施用本发明的替代三唑化合物或包含这种化合物的组合物。

  公开号：

  US20080176840A1

文献信息

• TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY
  申请人：Sun Lijun

  公开号：US20110319447A1

  公开（公告）日：2011-12-29

  The present invention relates to substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for preventing or treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a composition comprising such a compound.

  本发明涉及取代的三唑化合物和包含取代的三唑化合物的组合物。本发明还涉及在需要的主体中抑制Hsp90活性的方法以及预防或治疗过度增殖性疾病（如癌症）的方法，包括向主体中注射本发明的取代三唑化合物或包含这种化合物的组合物。
• Triazole compounds that modulate HSP90 activity
  申请人：Sun Lijun

  公开号：US08415377B2

  公开（公告）日：2013-04-09

  The present invention relates to substituted triazole compounds and compositions comprising substituted triazole compounds. The invention further relates to methods of inhibiting the activity of Hsp90 in a subject in need thereof and methods for preventing or treating hyperproliferative disorders, such as cancer, in a subject in need thereof comprising administering to the subject a substituted triazole compound of the invention, or a composition comprising such a compound.

  本发明涉及取代的三唑化合物和包含取代的三唑化合物的组合物。本发明还涉及在需要的主体中抑制Hsp90活性的方法，以及预防或治疗需要的主体的高增殖性疾病，如癌症，包括向该主体施用本发明的取代三唑化合物或包含这种化合物的组合物的方法。
• EP2035396B1
  申请人：——

  公开号：EP2035396B1

  公开（公告）日：2014-05-14
• COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS INCLUDING SUBSTITUTED NAPHTHALIMIDES SUCH AS AMONAFIDE FOR THE TREATMENT OF IMMUNOLOGICAL, METABOLIC, INFECTIOUS, AND BENIGN OR NEOPLASTIC HYPERPROLIFERATIVE DISEASE CONDITIONS
  申请人：BROWN Dennis M.

  公开号：US20160067241A1

  公开（公告）日：2016-03-10

  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 naphthalimides such as amonafide or analogs, derivatives, or prodrugs thereof.
• US8053456B2
  申请人：——

  公开号：US8053456B2

  公开（公告）日：2011-11-08