N-[azetidin-3-yl-(3,4-dichlorophenyl)methyl]isoquinoline-6-carboxamide | 1334108-19-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-[azetidin-3-yl-(3,4-dichlorophenyl)methyl]isoquinoline-6-carboxamide
• CAS: 1334108-19-8
• 化学式: C₂₀H₁₇Cl₂N₃O
• 分子量: 386.28
• InChiKey: TWAIYMKBHKNSRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.23
• 重原子数：
  26.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  54.02
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3,4-二氯苯甲酰氯 在 盐酸 、 ammonium acetate 、 sodium cyanoborohydride 、 1,2-二溴乙烷 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 锌 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-[azetidin-3-yl-(3,4-dichlorophenyl)methyl]isoquinoline-6-carboxamide
  参考文献：
  名称：

  Design and synthesis of novel amide AKT1 inhibitors with selectivity over CDK2

  摘要：

  Through the analysis of X-ray crystallographic information and previous SAR studies, a novel series of protein kinase B (PKB/AKT) inhibitors was developed. The compounds showed nanomolar inhibition of AKT1 and were selective against cyclin-dependent kinase 2 (CDK2). (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.07.056

文献信息

• Design and synthesis of novel amide AKT1 inhibitors with selectivity over CDK2
  作者：Kate S. Ashton、David J. St. Jean、Steve F. Poon、Matthew R. Lee、John G. Allen、Shiwen Zhang、Julie A. Lofgren、Xiaoling Zhang、Christopher Fotsch、Randall Hungate

  DOI：10.1016/j.bmcl.2011.07.056

  日期：2011.9

  Through the analysis of X-ray crystallographic information and previous SAR studies, a novel series of protein kinase B (PKB/AKT) inhibitors was developed. The compounds showed nanomolar inhibition of AKT1 and were selective against cyclin-dependent kinase 2 (CDK2). (C) 2011 Elsevier Ltd. All rights reserved.