Benzo[1,3]dioxol-5-yl-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-acetic acid | 188065-13-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Benzo[1,3]dioxol-5-yl-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-acetic acid
• 英文别名: 2-(1,3-benzodioxol-5-yl)-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetic acid
• CAS: 188065-13-6
• 化学式: C₁₉H₁₆N₂O₅
• 分子量: 352.346
• InChiKey: OVFLISSUDZIRHC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  88.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-异丙基苯磺酰胺 、 Benzo[1,3]dioxol-5-yl-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-acetic acid 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 N,N'-羰基二咪唑 作用下， 生成 N-[2-Benzo[1,3]dioxol-5-yl-2-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-acetyl]-4-isopropyl-benzenesulfonamide
  参考文献：
  名称：

  Pyridazinones with a pendant acylsulfonamide moiety as endothelin receptor antagonists

  摘要：

  Highly active endothelin receptor antagonists can be obtained by replacing the aryloxy group of L-749,329 by diversely substituted pyridazinone residues. The syntheses and structure-activity relationships of the new aryl-oxopyridazinyl-N-(4-arylsulfonyl)-acetamides 2 are reported. 2p with a simple dimethylpyridazinone moiety was one of the most potent compounds in vitro. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00617-8
• 作为产物：
  描述：

  4,5-二氢-6-苯基-3(2H)-哒嗪酮 在 sodium hydroxide 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 Benzo[1,3]dioxol-5-yl-(6-oxo-3-phenyl-5,6-dihydro-4H-pyridazin-1-yl)-acetic acid
  参考文献：
  名称：

  Pyridazinones with a pendant acylsulfonamide moiety as endothelin receptor antagonists

  摘要：

  Highly active endothelin receptor antagonists can be obtained by replacing the aryloxy group of L-749,329 by diversely substituted pyridazinone residues. The syntheses and structure-activity relationships of the new aryl-oxopyridazinyl-N-(4-arylsulfonyl)-acetamides 2 are reported. 2p with a simple dimethylpyridazinone moiety was one of the most potent compounds in vitro. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(96)00617-8

文献信息

• Pyridazinones with a pendant acylsulfonamide moiety as endothelin receptor antagonists
  作者：Dieter Dorsch、Werner W.K.R. Mederski、Mathias Osswald、Ralf M. Devant、Claus-Jochen Schmitges、Maria Christadler、Claudia Wilm

  DOI：10.1016/s0960-894x(96)00617-8

  日期：1997.2

  Highly active endothelin receptor antagonists can be obtained by replacing the aryloxy group of L-749,329 by diversely substituted pyridazinone residues. The syntheses and structure-activity relationships of the new aryl-oxopyridazinyl-N-(4-arylsulfonyl)-acetamides 2 are reported. 2p with a simple dimethylpyridazinone moiety was one of the most potent compounds in vitro. (C) 1997, Elsevier Science Ltd.