3-[2-(isopentylamino)-4-pyridyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine | 1432056-60-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 3-[2-(isopentylamino)-4-pyridyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
• 英文别名: 3-[2-(3-methylbutylamino)pyridin-4-yl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
• CAS: 1432056-60-4
• 化学式: C₂₂H₃₁N₇
• 分子量: 393.535
• InChiKey: TUZDCRXWMSTOCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-溴-6-氯咪唑并[1,2-b]哒嗪 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 caesium carbonate 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 水 为溶剂， 生成 3-[2-(isopentylamino)-4-pyridyl]-N-(1-methyl-4-piperidyl)imidazo[1,2-b]pyridazin-6-amine
  参考文献：
  名称：

  Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1)

  摘要：

  A series of imidazopyridazines which are potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1) was identified from a high-throughput screen against the isolated enzyme. Subsequent exploration of the SAR and optimisation has yielded leading members which show promising in vitro anti-parasite activity along with good in vitro ADME and selectivity against human kinases. Initial in vivo testing has revealed good oral bioavailability in a mouse PK study and modest in vivo efficacy in a Plasmodium berghei mouse model of malaria. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.03.017

文献信息

• Substituted imidazopyridazines are potent and selective inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1)
  作者：Timothy M. Chapman、Simon A. Osborne、Nathalie Bouloc、Jonathan M. Large、Claire Wallace、Kristian Birchall、Keith H. Ansell、Hayley M. Jones、Debra Taylor、Barbara Clough、Judith L. Green、Anthony A. Holder

  DOI：10.1016/j.bmcl.2013.03.017

  日期：2013.5

  A series of imidazopyridazines which are potent inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1) was identified from a high-throughput screen against the isolated enzyme. Subsequent exploration of the SAR and optimisation has yielded leading members which show promising in vitro anti-parasite activity along with good in vitro ADME and selectivity against human kinases. Initial in vivo testing has revealed good oral bioavailability in a mouse PK study and modest in vivo efficacy in a Plasmodium berghei mouse model of malaria. (C) 2013 Elsevier Ltd. All rights reserved.