N,3-dimethyl-4-(4-((6-oxo-5,6-dihydropyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-3-yl)methyl)piperazin-1-yl)benzamide | 1263407-48-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: N,3-dimethyl-4-(4-((6-oxo-5,6-dihydropyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-3-yl)methyl)piperazin-1-yl)benzamide
• 英文别名: N,3-dimethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide
• CAS: 1263407-48-2
• 化学式: C₂₄H₂₆N₆O₂
• 分子量: 430.509
• InChiKey: DBJQPECVWNKRPF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  82.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl 4-(4-cyano-2-methylphenyl)piperazine-1-carboxylate 在 N-甲基吗啉 、 盐酸 、 水 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 、 (cyanomethyl)trimethylphosphonium iodide 作用下， 以 1,4-二氧六环 、 乙醇 、 N,N-二甲基甲酰胺 、 丙腈 为溶剂， 反应 12.75h， 生成 N,3-dimethyl-4-(4-((6-oxo-5,6-dihydropyrido[2,3-e]pyrrolo[1,2-c]pyrimidin-3-yl)methyl)piperazin-1-yl)benzamide
  参考文献：
  名称：

  [EN] Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS
  [FR] INHIBITEURS DE LA POLY (ADP-RIBOSE) POLYMÉRASE (PARP)

  摘要：

  提供以下公式的化合物供PARP使用：其中变量如本文所定义。还提供包括这些化合物的药物组合物、试剂盒和制造品，制备这些化合物有用的方法和中间体，以及使用这些化合物的方法。

  公开号：

  WO2011014681A1

文献信息

• POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20140024654A1

  公开（公告）日：2014-01-23

  Compounds of the following formula are provided for use with PARP: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits, and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.

  提供了以下式子的化合物，用于与PARP一起使用：其中变量的定义如本文所述。还提供了包含这些化合物的制药组合物、工具箱和制造物品，有用于制造这些化合物的方法和中间体，以及使用这些化合物的方法。
• Poly (ADP-ribose) polymerase (PARP) inhibitors
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US08980902B2

  公开（公告）日：2015-03-17

  Compounds of the following formula are provided for use with PARP: wherein the variables are as defined herein. Also provided are pharmaceutical compositions, kits, and articles of manufacture comprising such compounds, methods and intermediates useful for making the compounds, and methods of using the compounds.

  提供了以下公式的化合物，用于与PARP一起使用：其中变量如本文所定义。还提供了包含这些化合物的药物组合物、工具箱和制品，用于制备这些化合物的方法和中间体，以及使用这些化合物的方法。
• USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES
  申请人：DelMar Pharmaceuticals, Inc.

  公开号：US20180071244A1

  公开（公告）日：2018-03-15

  The use of dianhydrogalactitol provides a novel therapeutic modality for the treatment of malignancies of the central nervous system in pediatric patients, including glioblastoma multiforme (GBM) high grade glioma, and medulloblastoma. Dianhydrogalactitol acts as an alkylating agent on DNA that creates N 7 methylation and that can induce double-stranded breaks in DNA. Dianhydrogalactitol is effective in suppressing the growth of cancer stem cells and is active against tumors that are refractory to temozolomide, cisplatin, and tyrosine kinase inhibitors; the drug acts independently of the MGMT repair mechanism. Dianhydrogalactitol can be used together with other anti-neoplastic agents (e.g. cisplatin) and can possess additive or super-additive effects.
• USE OF DIANHYDROGALACTITOL AND DERIVATIVES THEREOF IN THE TREATMENT OF GLIOBLASTOMA, LUNG CANCER, AND OVARIAN CANCER
  申请人：Bacha Jeffrey A.

  公开号：US20190091195A1

  公开（公告）日：2019-03-28

  Substituted hexitol derivatives such as dianhydrogalactitol are useful in the treatment of various neoplastic pathologies. Said pathologies include glioblastoma multiforme, non-small-cell lung carcinoma (NSCLC), ovarian cancer, and leptomeningeal carcinomatosis. The anti-neoplastic activity of dianhydrogalactitol is demonstrated to be due to its activity as an alkylating agent that creates N 7 methylation and inter-strand DNA crosslinks. The hexitol derivatives may be used alone or in combination with other anti-neoplastic agents.
• US8541417B2
  申请人：——

  公开号：US8541417B2

  公开（公告）日：2013-09-24