1,3-diphenyl-(5-thiophen-3-yl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid (5-hydroxy-4,4-dimethylpentyl)amide | 1419258-61-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,3-diphenyl-(5-thiophen-3-yl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid (5-hydroxy-4,4-dimethylpentyl)amide
• 英文别名: 1,3-diphenyl-5-thiophen-3-yl-4,5-dihydro-1H-pyrazole-4-carboxylic acid (5-hydroxy-4,4-dimethyl-pentyl)-amide；N-(5-hydroxy-4,4-dimethylpentyl)-2,5-diphenyl-3-thiophen-3-yl-3,4-dihydropyrazole-4-carboxamide
• CAS: 1419258-61-9
• 化学式: C₂₇H₃₁N₃O₂S
• 分子量: 461.628
• InChiKey: AYKZZIHPFLTOFD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  33
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  93.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-苯基苯并肼 在 水 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 potassium hydroxide 、 三苯基二氯化膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 36.0h， 生成 1,3-diphenyl-(5-thiophen-3-yl)-4,5-dihydro-1H-pyrazole-4-carboxylic acid (5-hydroxy-4,4-dimethylpentyl)amide
  参考文献：
  名称：

  [EN] TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES
  [FR] CIBLAGE DE PROTÉINES GLI À L'AIDE DE PETITES MOLÉCULES DANS UN CANCER HUMAIN

  摘要：

  本公开提供了用于诊断和治疗表达GLI多肽的癌症的组合物、药物制剂和方法。所公开的组合物和药物制剂可能包括一个或多个吡唑基含有化合物，或其类似物或衍生物。

  公开号：

  WO2014116651A1

文献信息

• [EN] TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES<br/>[FR] CIBLAGE DE PROTÉINES GLI DANS UN CANCER HUMAIN PAR DES PETITES MOLÉCULES
  申请人：UNIV CALIFORNIA

  公开号：WO2013013190A1

  公开（公告）日：2013-01-24

  The present disclosure provides compositions, pharmaceutical preparations and methods for the diagnosis and treatment of cancers expressing a GLI polypeptide. The disclosed compositions and pharmaceutical preparations may comprise one or more pyrazolyl-containing compounds, or an analog or derivative thereof.

  本公开提供了用于诊断和治疗表达GLI多肽的癌症的组合物、药物制剂和方法。所披露的组合物和药物制剂可能包括一个或多个吡唑基含有化合物，或其类似物或衍生物。
• TARGETING GLI PROTEINS IN HUMAN CANCER BY SMALL MOLECULES
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：EP2734042B1

  公开（公告）日：2017-02-01
• Targeting GLI Proteins in Human Cancer by Small Molecules
  申请人：He Biao

  公开号：US20140303160A1

  公开（公告）日：2014-10-09

  The present disclosure provides compositions, pharmaceutical preparations and methods for the diagnosis and treatment of cancers expressing a GLI polypeptide. The disclosed compositions and pharmaceutical preparations may comprise one or more pyrazolyl-containing compounds, or an analog or derivative thereof.
• Targeting Gli Proteins in Human Cancer by Small Molecules
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US20150361048A1

  公开（公告）日：2015-12-17

  The present disclosure provides compositions, pharmaceutical preparations and methods for the diagnosis and treatment of cancers expressing a GLI polypeptide. The disclosed compositions and pharmaceutical preparations may comprise one or more pyrazolyl-containing compounds, or an analog or derivative thereof.
• US9370521B2
  申请人：——

  公开号：US9370521B2

  公开（公告）日：2016-06-21