TDRL505 | 313405-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: TDRL505
• 英文别名: 4-[3-(4-bromophenyl)-5-(2-chloro-7-ethoxyquinolin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid；4-[5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
• CAS: 313405-38-8
• 化学式: C₂₄H₂₁BrClN₃O₄
• 分子量: 530.805
• InChiKey: PJILSERLBUJJJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  92.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 TDRL505 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 TDRL-506
  参考文献：
  名称：

  [EN] MATERIALS AND METHOD FOR INHIBITING REPLICATION PROTEIN A AND USES THEREOF
  [FR] MATIÈRES ET PROCÉDÉ POUR INHIBER LA PROTÉINE DE RÉPLICATION A ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2011097545A9

文献信息

• MATERIALS AND METHOD FOR INHIBITING REPLICATION PROTEIN A AND USES THEREOF
  申请人：Turchi John J.

  公开号：US20130028989A1

  公开（公告）日：2013-01-31

  Targeting uncontrolled cell proliferation and resistance to DNA damaging chemotherapeutics with at least one reagent has significant potential in cancer treatment. Replication Protein A, the eukaryotic single-strand (ss) DNA binding protein, is essential for genomic maintenance and stability via roles in both DNA replication and repair. Reported herein are small molecules that inhibits the in vitro, in vivo, and cellular ssDNA binding activity of RPA, thereby disrupting the eukaryotic cell cycle, inducing cytotoxicity and increasing the efficacy of chemotherapeutic agents damage DNA, and/or disrupt its replication and/or function. These results provide new insights into the mechanism of RPA-ssDNA interactions in chromosome maintenance and stability. This represents a molecularly targeted eukaryotic DNA binding inhibitor and demonstrates the utility of targeting a protein-DNA interaction as a means of studying the cell cycle and providing a therapeutic strategy for cancer treatment.
• MATERIALS AND METHOD FOR INHIBITING REPLICATION PROTEIN A AND USES THEREOF
  申请人：Indiana University Research and Technology Corp.

  公开号：US20140370121A1

  公开（公告）日：2014-12-18

  Targeting uncontrolled cell proliferation and resistance to DNA damaging chemotherapeutics with at least one reagent has significant potential in cancer treatment. Replication Protein A, the eukaryotic single-strand (ss) DNA binding protein, is essential for genomic maintenance and stability via roles in both DNA replication and repair. Reported herein are small molecules that inhibits the in vitro, in vivo, and cellular ssDNA binding activity of RPA, thereby disrupting the eukaryotic cell cycle, inducing cytotoxicity and increasing the efficacy of chemotherapeutic agents damage DNA, and/or disrupt its replication and/or function. These results provide new insights into the mechanism of RPA-ssDNA interactions in chromosome maintenance and stability. This represents a molecularly targeted eukaryotic DNA binding inhibitor and demonstrates the utility of targeting a protein-DNA interaction as a means of studying the cell cycle and providing a therapeutic strategy for cancer treatment.
• US8859532B2
  申请人：——

  公开号：US8859532B2

  公开（公告）日：2014-10-14
• US9533969B2
  申请人：——

  公开号：US9533969B2

  公开（公告）日：2017-01-03
• US9730942B2
  申请人：——

  公开号：US9730942B2

  公开（公告）日：2017-08-15