1-Methyl-4-(4-methyl-piperazin-1-yl)-3-nitro-1H-quinolin-2-one | 79966-20-4

• 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: 1-Methyl-4-(4-methyl-piperazin-1-yl)-3-nitro-1H-quinolin-2-one
• 英文别名: 1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2(1H)-one；1-methyl-4-(4-methylpiperazin-1-yl)-3-nitroquinolin-2-one
• CAS: 79966-20-4
• 化学式: C₁₅H₁₈N₄O₃
• 分子量: 302.333
• InChiKey: XRKMNEDNOBXCJY-UHFFFAOYSA-N

物化性质

• 熔点：
  209-212 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  395.3±42.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-hydroxy-1-methyl-3-nitro-2-(1H)quinolinone 在 三氯氧磷 作用下， 以 甲苯 为溶剂， 反应 11.0h， 生成 1-Methyl-4-(4-methyl-piperazin-1-yl)-3-nitro-1H-quinolin-2-one
  参考文献：
  名称：

  2-喹诺酮系列的转变

  摘要：

  氯氧化磷处理1-取代-1,2-二氢-4-羟基-2-氧-2-羟基-3-喹啉羧酸酯和4-羟基-1-甲基-3-硝基-2-（1 H）喹啉酮导致形成相应的4-氯-2-喹诺酮。描述了它们与各种碳，氮，氧和硫亲核试剂的反应。

  DOI：

  10.1002/jhet.5570180513

文献信息

• TUMOR NECROSIS FACTOR ALPHA INHIBITORS AND THEIR USE IN THE TREATMENT OF HUMAN DISEASES
  申请人：Sircar Jagadish

  公开号：US20080139551A1

  公开（公告）日：2008-06-12

  treatment of a variety of disorders, including the treatment of pathological conditions associated with tumor necrosis factor alpha. The inhibitors of tumor necrosis factor alpha have the following structures: including stereoisomers, pharmaceutically acceptable salts, and solvates thereof, wherein substituents are as defined herein. Compositions containing an inhibitor of tumor necrosis factor alpha in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  治疗各种疾病，包括与肿瘤坏死因子α相关的病理条件的治疗。肿瘤坏死因子α的抑制剂具有以下结构：包括立体异构体、药用可接受的盐和溶剂，其中取代基如本文所定义。还提供了含有肿瘤坏死因子α抑制剂与药用可接受载体结合的组合物，以及使用方法。
• Inhibitors of macrophage migration inhibitory factor and methods for identifying the same
  申请人：Gaeta C.A. Federico

  公开号：US20070021440A1

  公开（公告）日：2007-01-25

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, Y and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF抑制剂，可用于治疗多种疾病，包括与MIF活性相关的病理条件的治疗。MIF抑制剂具有以下结构：包括立体异构体，前药和其药学上可接受的盐，其中n，R1，R2，R3，R4，X，Y和Z的定义如本文所述。还提供了含有MIF抑制剂和药学上可接受的载体组合的组合物，以及使用它们的方法。
• INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME
  申请人：Gaeta C.A. Federico

  公开号：US20070197547A1

  公开（公告）日：2007-08-23

  Inhibitors of MIF are provided which have utility in the treatment of a variety of disorders, including the treatment of pathological conditions associated with MIF activity. The inhibitors of MIF have the following structures: including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof, wherein n, R 1 , R 2 , R 3 , R 4 , X, Y and Z are as defined herein. Compositions containing an inhibitor of MIF in combination with a pharmaceutically acceptable carrier are also provided, as well as methods for use of the same.

  提供了MIF抑制剂，可用于治疗多种疾病，包括与MIF活性相关的病理性状况的治疗。MIF抑制剂具有以下结构：包括立体异构体、前药和其药学上可接受的盐，其中n、R1、R2、R3、R4、X、Y和Z的定义如本文所述。还提供了含有MIF抑制剂与药学上可接受的载体组合的组合物，以及使用它们的方法。
• COPPOLA, G. M.;HARDTMANN, G. E., J. HETEROCYCL. CHEM., 1981, 18, N 5, 917-920
  作者：COPPOLA, G. M.、HARDTMANN, G. E.

  DOI：——

  日期：——
• US7192955B2
  申请人：——

  公开号：US7192955B2

  公开（公告）日：2007-03-20