1-[(4-Chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one | 1366126-27-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 1-[(4-Chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
• CAS: 1366126-27-3
• 化学式: C₁₇H₁₇ClN₄O₂
• 分子量: 344.801
• InChiKey: BOILDBASEKUBPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  48.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,7-二氯咪唑并[1,2-A]嘧啶 在 potassium carbonate 、 sodium hydroxide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-[(4-Chlorophenyl)methyl]-7-morpholin-4-ylimidazo[1,2-a]pyrimidin-5-one
  参考文献：
  名称：

  Synthesis and structure–activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors

  摘要：

  A series of PI3K-beta selective inhibitors, imidazo[1,2-a]-pyrimidin-5(1H)-ones, has been rationally designed based on the docking model of the more potent R enantiomer of TGX-221, identified by a chiral separation, in a PI3K-beta homology model. Synthesis and SAR of this novel chemotype are described. Several compounds in the series demonstrated potent growth inhibition in a PTEN-deficient breast cancer cell line MDA-MB-468 under anchorage independent conditions. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.092

文献信息

• Synthesis and structure–activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors
  作者：Hong Lin、Karl Erhard、Mary Ann Hardwicke、Juan I. Luengo、James F. Mack、Jeanelle McSurdy-Freed、Ramona Plant、Kaushik Raha、Cynthia M. Rominger、Robert M. Sanchez、Michael D. Schaber、Mark J. Schulz、Michael D. Spengler、Rosanna Tedesco、Ren Xie、Jin J. Zeng、Ralph A. Rivero

  DOI：10.1016/j.bmcl.2012.01.092

  日期：2012.3

  A series of PI3K-beta selective inhibitors, imidazo[1,2-a]-pyrimidin-5(1H)-ones, has been rationally designed based on the docking model of the more potent R enantiomer of TGX-221, identified by a chiral separation, in a PI3K-beta homology model. Synthesis and SAR of this novel chemotype are described. Several compounds in the series demonstrated potent growth inhibition in a PTEN-deficient breast cancer cell line MDA-MB-468 under anchorage independent conditions. (C) 2012 Elsevier Ltd. All rights reserved.