2,2'-[(1,6-Dioxohexane-1,6-diyl)diimino]bis(4-phenylthiophene-3-carboxylic acid)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 2,2'-[(1,6-Dioxohexane-1,6-diyl)diimino]bis(4-phenylthiophene-3-carboxylic acid)
• 英文别名: 2-[[6-[(3-carboxy-4-phenylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-4-phenylthiophene-3-carboxylic acid
• 化学式: C₂₈H₂₄N₂O₆S₂
• mdl: MFCD01464833
• 分子量: 548.6
• InChiKey: QOCGTGWJQGCCTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  38
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  189
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• BIOMARKER WITH THERAPEUTIC IMPLICATIONS FOR PERITONEAL CARCINOMATOSIS
  申请人：SINGAPORE HEALTH SERVICES PTE LTD

  公开号：US20220170940A1

  公开（公告）日：2022-06-02

  Disclosed herein are methods treating a subject suffering from peritoneal carcinomatosis with a PAI-1 inhibitor, wherein the method comprises determining the concentration of “plasminogen activator inhibitor 1” (PAI-1) and determining the level of phosphorylation of “signal transducer and activator of transcript 3” (STAT3) in a sample obtained from the subject. Also disclosed herein are methods of detecting or determining susceptibility of a subject suffering from peritoneal carcinomatosis to treatment with a PAI-1 inhibitor.