[3-(2,6-dichlorophenyl)-1,2-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazin-7-yl](4-fluorophenyl)-amine | 909095-73-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [3-(2,6-dichlorophenyl)-1,2-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazin-7-yl](4-fluorophenyl)-amine
• 英文别名: 3-(2,6-dichlorophenyl)-N-(4-fluorophenyl)-1,2-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazin-7-amine；3-(2,6-dichlorophenyl)-N-(4-fluorophenyl)-1,2-dimethylpyrimido[4,5-c]pyridazin-7-amine
• CAS: 909095-73-4
• 化学式: C₂₀H₁₆Cl₂FN₅
• 分子量: 416.285
• InChiKey: NIIWKBLUOHIJFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  44.3
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (+/-)-2-(2,6-dichlorophenyl)-2-(trimethylsiloxy)-acetonitrile 在 盐酸 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [3-(2,6-dichlorophenyl)-1,2-dimethyl-1,2-dihydropyrimido[4,5-c]pyridazin-7-yl](4-fluorophenyl)-amine
  参考文献：
  名称：

  The development of novel 1,2-dihydro-pyrimido[4,5-c]pyridazine based inhibitors of lymphocyte specific kinase (Lck)

  摘要：

  This communication details the synthesis, biological activity, and proposed binding mode of a novel class of tri-cyclic derivatives of 1,2-dihydro-pyrimido[4,5-c]pyridazines 1 and 2. The most potent analogs disclosed showed low nanomolar activity for the inhibition of Lck kinase. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.072

文献信息

• Synthesis of Novel Pyrimido[4,5-c]pyridazines and 1,2-Dihydro-3a,7,9,9b-Tetraaza-cyclopenta[a]naphthalen-3-ones as Potent Inhibitors of Lymphocyte Specific Kinase (LCK)
  作者：Mark Sabat、John C. VanRens、Todd A. Brugel、Jennifer Maier、Matthew J. Laufersweiler、Adam Golebiowski、Steve Berberich、Biswanath De

  DOI：10.3987/com-06-10806

  日期：——
• The development of novel 1,2-dihydro-pyrimido[4,5-c]pyridazine based inhibitors of lymphocyte specific kinase (Lck)
  作者：Mark Sabat、John C. VanRens、Todd A. Brugel、Jennifer Maier、Matthew J. Laufersweiler、Adam Golebiowski、Biswanath De、Vijayasurian Easwaran、Lily C. Hsieh、Jeff Rosegen、Steve Berberich、Eric Suchanek、Michael J. Janusz

  DOI：10.1016/j.bmcl.2006.05.072

  日期：2006.8

  This communication details the synthesis, biological activity, and proposed binding mode of a novel class of tri-cyclic derivatives of 1,2-dihydro-pyrimido[4,5-c]pyridazines 1 and 2. The most potent analogs disclosed showed low nanomolar activity for the inhibition of Lck kinase. (c) 2006 Elsevier Ltd. All rights reserved.