4-(6-amino-5-formylpyrimidin-4-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide | 949001-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(6-amino-5-formylpyrimidin-4-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
• CAS: 949001-19-8
• 化学式: C₂₀H₂₅N₇O₂
• 分子量: 395.464
• InChiKey: SMJRJXNNKZCTNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(6-amino-5-formylpyrimidin-4-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide 、 4-(2-(aminooxy)ethyl)morpholin-4-ium chloride 以 甲醇 为溶剂， 生成 4-(6-amino-5-[(2-morpholin-4-yl-ethoxyimino)-methyl]-pyrimidin-4-yl)-piperazine-1-carboxylic acid (4-pyrrolidin-1-yl-phenyl)amide
  参考文献：
  名称：

  4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors

  摘要：

  A series of 4-amino-6-piperazin- I -yl-pyrimi dine- 5-carbaldehyde oximes has been discovered and developed as potent FLT3 tyrosine kinase inhibitors. The series exhibited potent antiproliferative activity against both an FLT3 ITD-mutated human leukemic cell line as well as a wild-type FLT3 BaF3 expressed cell line. The structure-activity relationship of this class of compounds is described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.046
• 作为产物：
  描述：

  4-氨基-6-氯-5-醛基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 4-(6-amino-5-formylpyrimidin-4-yl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
  参考文献：
  名称：

  4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors

  摘要：

  A series of 4-amino-6-piperazin- I -yl-pyrimi dine- 5-carbaldehyde oximes has been discovered and developed as potent FLT3 tyrosine kinase inhibitors. The series exhibited potent antiproliferative activity against both an FLT3 ITD-mutated human leukemic cell line as well as a wild-type FLT3 BaF3 expressed cell line. The structure-activity relationship of this class of compounds is described. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.06.046

文献信息

• 4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors
  作者：Micheal D. Gaul、Guozhang Xu、Jennifer Kirkpatrick、Heidi Ott、Christian A. Baumann

  DOI：10.1016/j.bmcl.2007.06.046

  日期：2007.9

  A series of 4-amino-6-piperazin- I -yl-pyrimi dine- 5-carbaldehyde oximes has been discovered and developed as potent FLT3 tyrosine kinase inhibitors. The series exhibited potent antiproliferative activity against both an FLT3 ITD-mutated human leukemic cell line as well as a wild-type FLT3 BaF3 expressed cell line. The structure-activity relationship of this class of compounds is described. (C) 2007 Elsevier Ltd. All rights reserved.