2-Chloro-4-cyclohexylamino-[1,8]naphthyridine-3-carboxylic acid dipropylamide | 156992-12-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-Chloro-4-cyclohexylamino-[1,8]naphthyridine-3-carboxylic acid dipropylamide
• CAS: 156992-12-0
• 化学式: C₂₁H₂₉ClN₄O
• 分子量: 388.94
• InChiKey: PFXFRYIMZXPUEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.29
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  58.12
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-Chloro-4-cyclohexylamino-[1,8]naphthyridine-3-carboxylic acid dipropylamide 、 苯乙酸肼 以 various solvent(s) 为溶剂， 反应 1.0h， 以77%的产率得到9-benzyl-5-(cyclohexylamino)-N,N-dipropyl-[1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxamide
  参考文献：
  名称：

  1,8-Naphthyridines IV. 9-Substituted N,N-dialkyl-5-(alkylamino or cycloalkylamino) [1,2,4]triazolo[4,3-a][1,8]naphthyridine-6-carboxamides, new compounds with anti-aggressive and potent anti-inflammatory activities

  摘要：

  The title compounds (8) were synthesized through the cyclocondensation of the corresponding N-substituted 4-amino-2-chloro-1,8-naphthyridine-3-carboxamides (4) with the proper hydrazides, in order to evaluate their anti-inflammatory and antiaggressive properties. Several compounds 8 exhibited high anti-inflammatory activity (carrageenin-induced paw edema assay in the rat) along with appreciable anti-aggressive properties (isolation-induced aggressiveness test in mice). With respect to anti-inflammatory activity, the most active compounds (8n and 8c) produced a 61% edema inhibition at the 25 mg/kg dose, and 50 or 35% inhibition, respectively, at the 12.5 mg/kg dose. The structure-activity relationships are discussed. (C) 2000 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)01175-2
• 作为产物：
  描述：

  N,N-dipropiletossicarbonilacetammide 在 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 29.0h， 生成 2-Chloro-4-cyclohexylamino-[1,8]naphthyridine-3-carboxylic acid dipropylamide
  参考文献：
  名称：

  Di Braccio; Roma; Ghia, Il Farmaco, 1994, vol. 49, # 1, p. 25 - 32

  摘要：

  DOI：