4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2,4-dihydroxy-5-isopropylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one | 1065208-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 4-(benzo[d][1,3]dioxol-5-ylmethyl)-3-(2,4-dihydroxy-5-isopropylphenyl)-4,5-dihydro-1,2,4-triazin-6(1H)-one
• 英文别名: 4-(1,3-Benzodioxol-5-ylmethyl)-3-(2,4-dihydroxy-5-propan-2-ylphenyl)-1,5-dihydro-1,2,4-triazin-6-one
• CAS: 1065208-46-9
• 化学式: C₂₀H₂₁N₃O₅
• 分子量: 383.404
• InChiKey: DJFROBQWHQRVIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104
• 氢给体数：
  3
• 氢受体数：
  6

文献信息

• TRIAZINONE AND DIAZINONE DERIVATIVES USEFUL AS HSP90 INHIBITORS
  申请人：Lee Chi-Wan

  公开号：US20100298331A1

  公开（公告）日：2010-11-25

  The present invention relates to compounds according to formulae (IA) to (ID) and compositions that inhibit the activity of Hsp90. 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 compound of the invention, or a composition comprising such a compound.

  本发明涉及公式（IA）至（ID）的化合物和抑制Hsp90活性的组合物。本发明还涉及在需要的受体中抑制Hsp90活性的方法以及预防或治疗过度增殖性疾病，例如癌症，的方法，包括向受体中注射本发明的化合物或含有这种化合物的组合物。
• US8524712B2
  申请人：——

  公开号：US8524712B2

  公开（公告）日：2013-09-03
• [EN] COMPOUNDS THAT MODULATE HSP90 ACTIVITY<br/>[FR] COMPOSÉS QUI MODULENT L'ACTIVITÉ HSP90
  申请人：SYNTA PHARMACEUTICALS CORP

  公开号：WO2008118391A2

  公开（公告）日：2008-10-02

  [EN] The present invention relates to compounds and compositions that inhibit the activity of Hsp90. 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 compound of the invention, or a composition comprising such a compound.
  [FR] La présente invention concerne des composés et des compositions qui inhibent l'activité de Hsp90. L'invention concerne également des procédés d'inhibition de l'activité de Hsp90 chez un sujet le nécessitant et des procédés de prévention ou de traitement de troubles hyperprolifératifs, tels que le cancer, chez un sujet le nécessitant. Ces procédés comprennent l'administration au sujet d'un composé selon l'invention ou d'une composition qui comprend un tel composé.