7-[4-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid | 1318338-82-7

• 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: 7-[4-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 1318338-82-7
• 化学式: C₃₁H₃₅Cl₂FN₄O₄
• 分子量: 617.548
• InChiKey: MAWPMRUPLDVSAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  42
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  84.4
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  环丙沙星 、 苯丁酸氮芥 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以90%的产率得到7-[4-[4-[4-[Bis(2-chloroethyl)amino]phenyl]butanoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  [EN] NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER
  [FR] NOUVEAUX INHIBITEURS BIFONCTIONNELS DE METNASE/INTNASE ET COMPOSITIONS APPARENTÉES ET PROCÉDÉS DE TRAITEMENT DU CANCER

  摘要：

  公开号：

  WO2011094260A3

文献信息

• NOVEL BIFUNCTIONAL METNASE/INTNASE INHIBITORS AND RELATED COMPOSITIONS AND METHODS OF TREATMENT OF CANCER
  申请人：Hromas Robert

  公开号：US20120302582A1

  公开（公告）日：2012-11-29

  This invention relates to novel cancer treatment compositions and associated therapeutic methods. More particularly, this invention relates in part to small chemical bifunctional inhibitors of DNA replication and repair proteins Metnase and/or Intnase (also termed Gypsy Integrase, Gypsy Integrease-1, Gypsy Retransposon Integrase 1, or GIN-I) that simultaneously damage DNA, and to a therapeutic method that utilizes the inhibitors to increase the effectiveness of cancer treatment protocols, including radiation therapy. In preferred embodiments, compounds, compositions and methods of treatment of the invention are used to treat a patient suffering from leukemia (e.g. acute myeloid leukemia (AML) and related cancers. In certain aspects of such treatments, compounds, compositions and methods of treatment of the invention are administered as a monotherapy (in some cases, to patients who have exhibited resistance to Topo IIalpha inhibitors such as VP-16), or are co-administered with a Topo IIalpha inhibitor or other anti-cancer agents as otherwise described herein or in combination with radiation therapy.
• US8889689B2
  申请人：——

  公开号：US8889689B2

  公开（公告）日：2014-11-18