Methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate

• 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: Methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
• 化学式: C₂₂H₂₁N₃O₅S₂
• 分子量: 471.6
• InChiKey: GEOYTUHZFJZPSB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  180
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• Antiproliferative DNA polymerase inhibitor
  申请人：NEW YORK MEDICAL COLLEGE

  公开号：US11324720B2

  公开（公告）日：2022-05-10

  Methods for inhibiting cell growth, inhibiting DNA polymerase activity, and inhibiting DNA replication and repair are provided. In a method of inhibiting cell growth, a cell, such as a cancer cell, is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. The cell growth can be inhibited in vivo, and in certain embodiments, the cell growth is inhibited in vitro. In a method for inhibiting DNA polymerase activity, a DNA polymerase is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. In certain embodiments, the DNA polymerase is Pol δ. In a method for inhibiting DNA replication and repair, a cell, such as a cancer cell, is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. The DNA replication and repair can be inhibited in vivo, and in certain embodiments, the DNA replication and repair is inhibited in vitro.

  本研究提供了抑制细胞生长、抑制 DNA 聚合酶活性以及抑制 DNA 复制和修复的方法。在一种抑制细胞生长的方法中，细胞（如癌细胞）与 zelpolib 或其衍生物或药学上可接受的盐接触。细胞生长可在体内被抑制，在某些实施方案中，细胞生长在体外被抑制。在一种抑制 DNA 聚合酶活性的方法中，DNA 聚合酶与 zelpolib 或其衍生物或药学上可接受的盐接触。在某些实施方案中，DNA 聚合酶是 Pol δ。 在抑制 DNA 复制和修复的方法中，细胞（如癌细胞）与 zelpolib 或其衍生物或药学上可接受的盐接触。DNA复制和修复可在体内被抑制，在某些实施方案中，DNA复制和修复在体外被抑制。
• Antiproliferative DNA Polymerase Inhibitor
  申请人：NEW YORK MEDICAL COLLEGE

  公开号：US20200121641A1

  公开（公告）日：2020-04-23

  Methods for inhibiting cell growth, inhibiting DNA polymerase activity, and inhibiting DNA replication and repair are provided. In a method of inhibiting cell growth, a cell, such as a cancer cell, is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. The cell growth can be inhibited in vivo, and in certain embodiments, the cell growth is inhibited in vitro. In a method for inhibiting DNA polymerase activity, a DNA polymerase is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. In certain embodiments, the DNA polymerase is Pol δ. In a method for inhibiting DNA replication and repair, a cell, such as a cancer cell, is contacted with zelpolib or a derivative or pharmaceutically acceptable salt thereof. The DNA replication and repair can be inhibited in vivo, and in certain embodiments, the DNA replication and repair is inhibited in vitro.