5-chetoindeno<1,2-c>piridazin-3-one | 81198-22-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-chetoindeno<1,2-c>piridazin-3-one
• 英文别名: 2H-indeno[1,2-c]pyridazine-3,5-dione
• CAS: 81198-22-3
• 化学式: C₁₁H₆N₂O₂
• 分子量: 198.181
• InChiKey: LECUEVGPHXYPCK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 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：
  58.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-chetoindeno<1,2-c>piridazin-3-one 在 三氯氧磷 作用下， 反应 0.25h， 以73.17%的产率得到3-cloro-5-chetoindeno<1,2-c>piridazina
  参考文献：
  名称：

  Cignarella; Loriga; Pinna, Farmaco, Edizione Scientifica, 1982, vol. 37, # 2, p. 133 - 144

  摘要：

  DOI：
• 作为产物：
  描述：

  5H-indeno<1,2-c>pyridazin-3-one 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 反应 2.0h， 以60%的产率得到5-chetoindeno<1,2-c>piridazin-3-one
  参考文献：
  名称：

  Cignarella; Loriga; Pinna, Farmaco, Edizione Scientifica, 1982, vol. 37, # 2, p. 133 - 144

  摘要：

  DOI：

文献信息

• Synthesis and Monoamine Oxidase Inhibitory Activity of New Pyridazine-, Pyrimidine- and 1,2,4-Triazine-Containing Tricyclic Derivatives
  作者：Andrea Carotti、Marco Catto、Francesco Leonetti、Francesco Campagna、Ramón Soto-Otero、Estefanía Méndez-Álvarez、Ulrike Thull、Bernard Testa、Cosimo Altomare

  DOI：10.1021/jm070728r

  日期：2007.11.1

  A number of condensed azines, mostly belonging to the families of indeno-fused pyridazines (1), pyrimidines (13), and 12,4-triazines (4, 5), were synthesized and evaluated in vitro as monoamine oxidase (MAO) A and B inhibitors. Most of them showed higher inhibition potency toward MAO-B, the most effective one being 3-(3-nitrophenyl)-9H-indeno[1,2-e] [1,2,4]triazin-9-one (4c), which displayed an IC50 value of 80 nM and proved to be I 0-fold more potent than its [2,1-e] fusion isomer 5. Replacing the 3-phenyl group of the known indeno[12-c]pyridazin-5-one MAO-B inhibitors with a flexible phenoxymethyl group enhanced the inhibitory potency. The inhibition data highlighted the importance of the aza-heterocyclic scaffold in affecting the MAO isoform selectivity. The 3-phenyl derivatives with type 1, 4, and 5 scaffolds were inhibitors of MAO-B with little or no MAO-A effect, whereas 2- or 3-phenyl derivatives of type 2 and 3 pyrimidine-containing fusion isomers inhibited both isoenzymes with a structure-dependent preference toward MAOA.
• Cignarella; Loriga; Pinna, Farmaco, Edizione Scientifica, 1982, vol. 37, # 2, p. 133 - 144
  作者：Cignarella、Loriga、Pinna、et al.

  DOI：——

  日期：——