| 114719-33-4

• 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
• CAS: 114719-33-4
• 化学式: C₄H₄O₄*2C₂₃H₃₁N₅O₄S
• 分子量: 1063.27
• InChiKey: WGRNETZJKITYSA-WLHGVMLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.27
• 重原子数：
  41.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  200.33
• 氢给体数：
  5.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 aq. base 作用下， 生成 (6-Diazomethyl-7-nitro-1,2,3,4-tetrahydro-quinolin-2-ylmethyl)-isopropyl-amine
  参考文献：
  名称：

  Studies on some derivatives of oxamniquine

  摘要：

  On the basis of the remarkable biological similarities between hycanthone and oxamniquine and as a sequel to our finding that some esters of hycanthone are active against hycanthone-resistant schistosomes, we prepared oxamniquine acetate, oxamniquine N-methylcarbamate, and four substituted phenylsulfonohydrazones of oxamniquine aldehyde. These compounds were tested for their effect on survival of and on [3H]uridine incorporation into hycanthone-sensitive and -resistant Schistosoma mansoni. All of these derivatives were effective to a greater or lesser degree in killing worms and in inhibiting [3H]uridine incorporation in the sensitive strain, but none was effective in the resistant strain.

  DOI：

  10.1021/jm00403a024
• 作为产物：
  描述：

  2,4,6-三甲基苯磺酰肼 、 2-(Isopropylamino-methyl)-7-nitro-1,2,3,4-tetrahydro-quinoline-6-carbaldehyde; compound with (E)-but-2-enedioic acid 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Studies on some derivatives of oxamniquine

  摘要：

  On the basis of the remarkable biological similarities between hycanthone and oxamniquine and as a sequel to our finding that some esters of hycanthone are active against hycanthone-resistant schistosomes, we prepared oxamniquine acetate, oxamniquine N-methylcarbamate, and four substituted phenylsulfonohydrazones of oxamniquine aldehyde. These compounds were tested for their effect on survival of and on [3H]uridine incorporation into hycanthone-sensitive and -resistant Schistosoma mansoni. All of these derivatives were effective to a greater or lesser degree in killing worms and in inhibiting [3H]uridine incorporation in the sensitive strain, but none was effective in the resistant strain.

  DOI：

  10.1021/jm00403a024