3-methoxypyridazin-1-ium-1-amine;iodide | 35073-07-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-methoxypyridazin-1-ium-1-amine;iodide
• CAS: 35073-07-5
• 化学式: C₅H₈N₃O*I
• 分子量: 253.043
• InChiKey: PMYZTWOZELLPNV-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.9
• 重原子数：
  10.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  52.02
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(4-氟苯基)-2-丙炔酸甲酯 、 3-methoxypyridazin-1-ium-1-amine;iodide 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 生成 6-methoxy-2-(4-fluoro-phenyl)-pyrazolo[1,5-b]pyridazine-3-carboxylic acid methyl ester
  参考文献：
  名称：

  Identification of 2,3-diaryl-pyrazolo[1,5-b]pyridazines as potent and selective cyclooxygenase-2 inhibitors

  摘要：

  GW406381 (8), currently undergoing clinical evaluation for the treatment of inflammatory pain is a member of a novel series of 2,3-diaryl-pyrazolo[1,5-b]pyridazine based cyclooxygenase-2 (COX-2) inhibitors, which have been shown to be highly potent and selective. Several examples of the series, in addition to possessing favourable pharmacokinetic profiles and analgesic activity in vivo, have also demonstrated relatively high brain penetration in the rat compared with the clinically available compounds, which may ultimately prove beneficial in the treatment of pain. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.07.089
• 作为产物：
  描述：

  3-甲氧基嘧啶 在 羟基氨基磺酸 、 potassium hydrogencarbonate 、 potassium iodide 作用下， 以 水 为溶剂， 生成 3-methoxypyridazin-1-ium-1-amine;iodide
  参考文献：
  名称：

  Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors

  摘要：

  A novel series of pyrazolo[1,5-b]pyridazines have been synthesized and identified as cyclin dependant kinase inhibitors potentially useful for the treatment of solid tumors. Modification of the hinge-binding amine or the C(2)- and C(6)-substitutions on the pyrazolopyridazine core provided potent inhibitors of CDK4 and demonstrated enzyme selectivity against VEGFR-2 and GSK3beta.

  DOI：

  10.1016/j.bmcl.2008.09.069