10-Sulfo-acridizinium-betain | 5361-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 10-Sulfo-acridizinium-betain
• 英文别名: Benzo[b]quinolizin-5-ium-10-sulfonate
• CAS: 5361-46-6
• 化学式: C₁₃H₉NO₃S
• 分子量: 259.285
• InChiKey: CKSDZSQTNRVQEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  10-Sulfo-acridizinium-betain 、 1,1-di(3'-furyl)ethylene 以 乙腈 为溶剂， 反应 8.0h， 以20%的产率得到(+/-)-12,12-di(3-furyl)-6,11-ethano-10-sulfenyl-6,11-dihydrobenzo[b]quinolizinium
  参考文献：
  名称：

  Novel Benzo[b]quinolizinium Cations as Uncompetitive N-Methyl-D-aspartic Acid (NMDA) Antagonists: The Relationship between log D and Agonist Independent (Closed) NMDA Channel Block

  摘要：

  A series of permanently charged benzo[b]quinolizinium cations having lower lipophilicity than MK-801 or phencyclidine (PCP) were synthesized. Data relating agonist independent block of N-methyl-D-aspartic acid (NMDA) ion channels to log D are described.; Closed channel access is predicted to result in a more noncompetitive profile of antagonism compared to selective open channel blockers, which are uncompetitive inhibitors. Reduced closed channel block may underlie the absence of PCP or MK-801-like behavioral side effects observed for benzo[b]quinolizinium cations.

  DOI：

  10.1021/jm00018a018