7-Chloro-2-(1-pyridin-2-yl-ethyl)-2,3-dihydro-5H-pyridazino[4,5-b]quinoline-1,4,10-trione; compound with methanesulfonic acid

• 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: 7-Chloro-2-(1-pyridin-2-yl-ethyl)-2,3-dihydro-5H-pyridazino[4,5-b]quinoline-1,4,10-trione; compound with methanesulfonic acid
• 英文别名: 7-Chloro-2-(1-pyridin-2-ylethyl)-3,5-dihydropyridazino[4,5-b]quinoline-1,4,10-trione;methanesulfonic acid
• 化学式: CH₄O₃S*C₁₈H₁₃ClN₄O₃
• 分子量: 464.886
• InChiKey: PTOQLZYJDPVEKD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.69
• 重原子数：
  31
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(1-Aza-2-(2-pyridyl)prop-1-enyl)(tert-butoxy)carboxamide 在 palladium on activated charcoal 4-二甲氨基吡啶 、 氢气 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 20.0 ℃ 、275.79 kPa 条件下， 反应 18.0h， 生成 7-Chloro-2-(1-pyridin-2-yl-ethyl)-2,3-dihydro-5H-pyridazino[4,5-b]quinoline-1,4,10-trione; compound with methanesulfonic acid
  参考文献：
  名称：

  Synthesis of 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5- b ]quinoline-1,4,10(5 H )-triones as NMDA glycine-site antagonists

  摘要：

  Several members of the 7-chloro-2,3-dihydro-2-[1-(pyridinyl)alkyl]-pyridazino[4,5-b]quinoline-1,4,10(5H)-triones (2) have been identified as being potent and selective NMDA glycine-site antagonists. Increasing size of the alkyl substituent on the alpha-carbon led to a progressive decrease in binding affinity. Some of these analogues possess improved drug-like properties such as cellular permeability, solubility and oral absorption. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00750-9

文献信息

• 7-Chloro-4-hydroxy-2-(2-pyridylethyl)-1,2,5,10-tetrahydropyridazino[4,5-b]quinoline-1,10-dione and the use thereof for the treatment of pain
  申请人：——

  公开号：US20040053930A1

  公开（公告）日：2004-03-18

  A compound, 7-chloro-4-hydroxy-2-(2-pyridylethyl)-1,2,5,10-tetrahydropyridazino[4,5-b] quinoline-1,10-dione, its (−) enantiomer, its (+) enantiomer, pharmaceutically-acceptable salts thereof, a method for treating pain comprising administering a pain-ameliorating effective amount of the (−) enantiomer to an individual suffering from pain and pharmaceutical compositions containing the (−) enantiomer are disclosed.

  本发明涉及一种化合物，即7-氯-4-羟基-2-(2-吡啶基乙基)-1,2,5,10-四氢吡啶并[4,5-b]喹啉-1,10-二酮，其(−)对映体，其(+)对映体，其药学上可接受的盐，一种治疗疼痛的方法，包括向遭受疼痛的个体投与(−)对映体的止痛有效量，以及含有(−)对映体的制药组合物。
• 7-CHLORO-4-HYDROXY-2-(2-PYRIDYLETHYL)-1,2,5,10-TETRAHYDROPYRIDAZINO 4,5-B|QUINOLINE-1,10-DIONE AND THE USE THEREOF FOR THE TREATMENT OF PAIN
  申请人：AstraZeneca AB

  公开号：EP1325003B1

  公开（公告）日：2006-08-02