3-[4-[[4-(7-phenyl-3H-imidazo[4,5-g]quinoxalin-6-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-[4-[[4-(7-phenyl-3H-imidazo[4,5-g]quinoxalin-6-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• 化学式: C₃₄H₂₉N₇O
• 分子量: 551.6
• InChiKey: FTOTWMAGJFQROD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  42
• 可旋转键数：
  5
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  98.8
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• METHODS FOR IDENTIFYING INFLAMMATORY BOWEL DISEASE PATIENTS WITH DYSPLASIA OR CANCER
  申请人：BOSTON MEDICAL CENTER CORPORATION

  公开号：US20140179549A1

  公开（公告）日：2014-06-26

  The present invention provides methods for identifying IBD patients with dysplasia or cancer. In particular embodiments, the methods of the invention may comprise determining the presence or level of at least one or a panel of miRNAs in a sample obtained from an IBD patient to establish a miRNA expression profile, and comparing the miRNA expression profile with one or more pre-established model miRNA expression profiles. The present invention further provides methods for monitoring the efficacy of treatment of IBD patients with dysplasia or cancer.