N-(2,5-difluoro-phenyl)-2-[5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide | 955183-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(2,5-difluoro-phenyl)-2-[5-(4-methoxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
• 英文别名: N-(2,5-difluorophenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
• CAS: 955183-19-4
• 化学式: C₁₇H₁₄F₂N₄O₂S
• 分子量: 376.387
• InChiKey: GJYVVTIIJXPEEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• Small-Molecule Choline Kinase Inhibitors as Anti-Cancer Therapeutics
  申请人：Chand Pooran

  公开号：US20110257211A1

  公开（公告）日：2011-10-20

  Small molecule choline kinase inhibitors having the following formula: are provided herein. Also provided herein are pharmaceutical compositions containing Formula I compounds, together with methods of treating cancer, methods of inhibiting choline kinase enzymatic activity, and methods of treating tumors by administering an effective amount of a Formula I compound.

  本文提供了具有以下结构的小分子胆碱激酶抑制剂的公式。本文还提供了含有公式I化合物的药物组合物，以及通过给予有效量的公式I化合物来治疗癌症、抑制胆碱激酶酶活性的方法以及治疗肿瘤的方法。
• Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Safe and Effective Treatment of Neoplastic Disorders
  申请人：CLEM BRIAN

  公开号：US20110212994A1

  公开（公告）日：2011-09-01

  Small molecule choline kinase inhibitors, pharmaceutical compositions thereof, and screening methods for identifying and evaluating choline kinase inhibitors are provided. Safe and effective methods for treating subjects suffering from a disorder or disease characterized by neoplastic cell proliferation employing the choline kinase inhibitors are also provided.

  提供了小分子胆碱激酶抑制剂、其药物组合物以及用于识别和评估胆碱激酶抑制剂的筛选方法。还提供了利用胆碱激酶抑制剂治疗患有以肿瘤细胞增殖为特征的疾病或疾病的安全有效方法。
• Small Molecule Choline Kinase Inhibitors, Screening Assays, and Methods for Treatment of Neoplastic Disorders
  申请人：Clem Brian

  公开号：US20130012557A1

  公开（公告）日：2013-01-10

  Small molecule choline kinase inhibitors, pharmaceutical compositions thereof, and screening methods for identifying and evaluating choline kinase inhibitors are provided. Safe and effective methods for treating subjects suffering from a disorder or disease characterized by neoplastic cell proliferation employing the choline kinase inhibitors are also provided.
• US9381172B2
  申请人：——

  公开号：US9381172B2

  公开（公告）日：2016-07-05