[4-(9H-fluoren-9-yl)piperazin-1-yl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: [4-(9H-fluoren-9-yl)piperazin-1-yl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone
• 化学式: C₂₆H₂₃FN₂O₃
• 分子量: 430.5
• InChiKey: XZXLTQQMDYGJAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  42
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Dock derived compound against laminin receptor (37 LR) and uses thereof
  申请人：Purdue Research Foundation

  公开号：US10438688B2

  公开（公告）日：2019-10-08

  An in silico screening method generated compounds that are against laminin receptor 37LR and their anti-cancer functions in prostate cancer cell lines are disclosed herein. A group of derivatives based on the hit compound from the in silico screening are synthesized and tested with improved IC50 value that can have relevant clinical use for prostate cancer or osteoarthritis.

  本文公开了一种针对层粘连蛋白受体 37LR 的化合物及其在前列腺癌细胞系中的抗癌功能的硅学筛选方法。根据硅学筛选中的命中化合物合成了一组衍生物，并对其进行了测试，其 IC50 值有所提高，可用于前列腺癌或骨关节炎的相关临床治疗。
• Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof
  申请人：Purdue Research Foundation

  公开号：US20200064334A1

  公开（公告）日：2020-02-27

  An in silico screening method generated compounds that are against laminin receptor 37LR and their anti-cancer functions in prostate cancer cell lines are disclosed herein. A group of derivatives based on the hit compound from the in silico screening are synthesized and tested with improved IC 50 value that can have relevant clinical use for prostate cancer or osteoarthritis.