5-[4-(4-benzyl-piperazin-1-ylmethyl)-phenyl]-1-(2,4-bis-benzyloxy-5-isopropyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid methyl ester | 1383717-98-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[4-(4-benzyl-piperazin-1-ylmethyl)-phenyl]-1-(2,4-bis-benzyloxy-5-isopropyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
• 英文别名: Methyl 5-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]triazole-4-carboxylate
• CAS: 1383717-98-3
• 化学式: C₄₅H₄₇N₅O₄
• 分子量: 721.899
• InChiKey: YLBXBCBWQZYFFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  54
• 可旋转键数：
  15
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• [EN] ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY<br/>[FR] COMPOSÉS ARYL TRIAZOLE AYANT UNE ACTIVITÉ ANTI-TUMORALE
  申请人：SIGMA TAU RES SWITZERLAND SA

  公开号：WO2012084602A1

  公开（公告）日：2012-06-28

  The present invention relates to aryl triazole derivatives of Formula I having antitumoural activity through, as one possible biological target, the molecular chaperone heat shock protein 90 (Hsp90) inhibition. The invention includes the use of such compounds in medicine, in relation to cancer disease as well as other diseases where an inhibition of Hsp90 is responsive, and the pharmaceutical composition containing such compounds.

  本发明涉及具有抗肿瘤活性的Formula I的芳基三唑衍生物，作为一个可能的生物靶标，通过分子伴侣热休克蛋白90（Hsp90）的抑制作用。该发明包括在医学上使用这些化合物，涉及癌症疾病以及其他需要抑制Hsp90的疾病，以及含有这些化合物的药物组合物。
• ARYL TRIAZOLE COMPOUNDS WITH ANTITUMOURAL ACTIVITY
  申请人：Giannini Giuseppe

  公开号：US20140329812A1

  公开（公告）日：2014-11-06

  The present invention relates to aryl triazole derivatives of Formula I having antitumoural activity through, as one possible biological target, the molecular chaperone heat shock protein 90 (Hsp90) inhibition. The invention includes the use of such compounds in medicine, in relation to cancer disease as well as other diseases where an inhibition of Hsp90 is responsive, and the pharmaceutical composition containing such compounds.

  本发明涉及公式I的芳基三唑衍生物，通过作为可能的生物靶点之一，分子伴侣热休克蛋白90（Hsp90）抑制具有抗肿瘤活性。本发明包括将这些化合物用于医学，与癌症疾病以及其他需要抑制Hsp90的疾病有关，并且包含这些化合物的制药组合物。
• US9302998B2
  申请人：——

  公开号：US9302998B2

  公开（公告）日：2016-04-05