(S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide | 1261301-65-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: (S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
• 英文别名: 2-[3-(hydroxymethyl)phenyl]-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
• CAS: 1261301-65-8
• 化学式: C₂₀H₂₂N₄O₂S
• 分子量: 382.486
• InChiKey: YNQHLQYVIDIBNI-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  129
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  tert-butyl (S)-3-((7-cyano-2-(3-(hydroxymethyl)phenyl)thieno[3,2-c]pyridin-4-yl)amino)piperidine-1-carboxylate 在 硫酸 、 水 作用下， 反应 0.5h， 生成 (S)-2-(3-(hydroxymethyl)phenyl)-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
  参考文献：
  名称：

  Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors

  摘要：

  A novel series of CHK1 inhibitors based on thienopyridine template has been designed and synthesized. These inhibitors maintain critical hydrogen bonding with the hinge and conserved water in the ATP binding site. Several compounds show single digit nanomolar CHK1 activities. Compound 70 shows excellent enzymatic activity of 1 nM. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.10.105

文献信息

• Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors
  作者：Lianyun Zhao、Yingxin Zhang、Chaoyang Dai、Timothy Guzi、Derek Wiswell、Wolfgang Seghezzi、David Parry、Thierry Fischmann、M. Arshad Siddiqui

  DOI：10.1016/j.bmcl.2010.10.105

  日期：2010.12

  A novel series of CHK1 inhibitors based on thienopyridine template has been designed and synthesized. These inhibitors maintain critical hydrogen bonding with the hinge and conserved water in the ATP binding site. Several compounds show single digit nanomolar CHK1 activities. Compound 70 shows excellent enzymatic activity of 1 nM. (C) 2010 Elsevier Ltd. All rights reserved.