ethyl 3-[pyridazin-3(2H)-one-2-yl]-propionate | 73535-75-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 3-[pyridazin-3(2H)-one-2-yl]-propionate
• 英文别名: ethyl-3-(3-oxo-2-pyridazinyl)propionate；ethyl 3-(6-oxopyridazin-1-yl)propanoate
• CAS: 73535-75-8
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: GCQLGAVQIVKWJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  59
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 3-[pyridazin-3(2H)-one-2-yl]-propionate 在 盐酸 作用下， 生成 3-[pyridazin-3(2H)-one-2-yl]-propanoic acid
  参考文献：
  名称：

  Structure–activity relationships in a series of 8-substituted xanthines as A1-adenosine receptor antagonists

  摘要：

  A series of X-substituted xanthines were synthesized and their affinity in vitro towards A(1), A(2A)-adenosine receptors was evaluated by radioligand receptor binding assays. All compounds showed a greater affinity and selectivity towards the A(1)-adenosine receptor than theophylline. The compounds in which the n-proyl group is in 1-position of the xanthine nucleus and the pyridazinone system in 8-position is linked through a chain of two or four carbon atoms, showed the highest affinity and selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00271-6
• 作为产物：
  描述：

  3-哒嗪酮 、 3-溴丙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 24.0h， 以70%的产率得到ethyl 3-[pyridazin-3(2H)-one-2-yl]-propionate
  参考文献：
  名称：

  Structure–activity relationships in a series of 8-substituted xanthines as A1-adenosine receptor antagonists

  摘要：

  A series of X-substituted xanthines were synthesized and their affinity in vitro towards A(1), A(2A)-adenosine receptors was evaluated by radioligand receptor binding assays. All compounds showed a greater affinity and selectivity towards the A(1)-adenosine receptor than theophylline. The compounds in which the n-proyl group is in 1-position of the xanthine nucleus and the pyridazinone system in 8-position is linked through a chain of two or four carbon atoms, showed the highest affinity and selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00271-6

文献信息

• Novel thioamide derivatives containing a pyridazine group
  申请人：Morishita Pharmaceutical Co., Ltd.

  公开号：US04242512A1

  公开（公告）日：1980-12-30

  Novel pyridazine-containing thioamide derivatives of the formula ##STR1## wherein R.sub.1 is ##STR2## wherein A is hydrogen, methyl, phenyl or mercapto, and B is hydrogen or phenyl; R.sub.2 is hydrogen or methyl; R.sub.3 is hydrogen, methyl or phenyl; R.sub.4 is hydrogen or methyl; and n is zero or 1. The derivatives have outstanding gastric antisecretory activity.

  新型含吡啶并噻酰胺衍生物的化学式为##STR1##，其中R.sub.1为##STR2##，A为氢、甲基、苯基或巯基，B为氢或苯基；R.sub.2为氢或甲基；R.sub.3为氢、甲基或苯基；R.sub.4为氢或甲基；n为零或1。这些衍生物具有出色的胃抑酸活性。
• US4242512A
  申请人：——

  公开号：US4242512A

  公开（公告）日：1980-12-30
• Structure–activity relationships in a series of 8-substituted xanthines as A1-adenosine receptor antagonists
  作者：Giovannella Strappaghetti、Stefano Corsano、Roberta Barbaro、Gino Giannaccini、Laura Betti

  DOI：10.1016/s0968-0896(00)00271-6

  日期：2001.3

  A series of X-substituted xanthines were synthesized and their affinity in vitro towards A(1), A(2A)-adenosine receptors was evaluated by radioligand receptor binding assays. All compounds showed a greater affinity and selectivity towards the A(1)-adenosine receptor than theophylline. The compounds in which the n-proyl group is in 1-position of the xanthine nucleus and the pyridazinone system in 8-position is linked through a chain of two or four carbon atoms, showed the highest affinity and selectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.