| 1404065-54-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• CAS: 1404065-54-8
• 化学式: C₂₄H₂₈N₄O₄
• 分子量: 436.511
• InChiKey: FISJLPQLUVODPE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  32.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  99.1
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 氯化铵 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 2-[4-(5-cyclohexyl-7-methyl-4-oxo-3H-imidazo[4,5-d]pyridazin-2-yl)-3-methoxyphenyl]cyclopropane-1-carboxamide
  参考文献：
  名称：

  Imidazopyridazinones as novel PDE7 inhibitors: SAR and in vivo studies in Parkinson’s disease model

  摘要：

  The synthesis and structure-activity relationship studies of a series of compounds from imidazopyridazinone scaffold as PDE7 inhibitors are disclosed. Potent analogs such as compounds 7 (31 nM), 8 (27 nM), and 9 (12 nM) were identified. The PDE selectivity and pharmacokinetic profile of compounds 7, 8 and 9 are also disclosed. The adequate CNS penetration of compound 7 in mice allowed it to be tested in the MPTP induced PD model and haloperidol induced catalepsy model to probe the differential pharmacology of PDE7 in the striatal pathway. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.077
• 作为产物：
  描述：

  4-amino-2-cyclohexyl-6-methyl-5-nitropyridazin-3(2H)-one 在 铁粉 、 sodium hydride 、 sulfur 、 溶剂黄146 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 二甲基亚砜 为溶剂， 反应 32.0h， 生成
  参考文献：
  名称：

  Imidazopyridazinones as novel PDE7 inhibitors: SAR and in vivo studies in Parkinson’s disease model

  摘要：

  The synthesis and structure-activity relationship studies of a series of compounds from imidazopyridazinone scaffold as PDE7 inhibitors are disclosed. Potent analogs such as compounds 7 (31 nM), 8 (27 nM), and 9 (12 nM) were identified. The PDE selectivity and pharmacokinetic profile of compounds 7, 8 and 9 are also disclosed. The adequate CNS penetration of compound 7 in mice allowed it to be tested in the MPTP induced PD model and haloperidol induced catalepsy model to probe the differential pharmacology of PDE7 in the striatal pathway. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.077