ROCHE screening, 75

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: ROCHE screening, 75
• 英文别名: (5Z)-5-(quinolin-6-ylmethylidene)-2-(thiophen-2-ylmethylimino)-1,3-oxazolidin-4-one
• 化学式: C₁₈H₁₃N₃O₂S
• 分子量: 335.386
• InChiKey: RVOPXDLRTRUOFB-YBEGLDIGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  91.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  喹啉-6-甲醛 在 sodium acetate 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 24.17h， 生成 ROCHE screening, 75
  参考文献：
  名称：

  Synthesis and activity of quinolinyl-methylene-thiazolinones as potent and selective cyclin-dependent kinase 1 inhibitors

  摘要：

  A novel series of quinolinyl-methylene-thiazolinones has been identified as potent and selective cyclin-dependent kinase I (CDK1) inhibitors. Their synthesis and structure activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK1 activity in vitro, and block cell cycle progression in human tumor cell lines, suggesting a potential use as antitumor agents. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.01.081

文献信息

• Synthesis and activity of quinolinyl-methylene-thiazolinones as potent and selective cyclin-dependent kinase 1 inhibitors
  作者：Shaoqing Chen、Li Chen、Nam T. Le、Chunlin Zhao、Achyutharao Sidduri、Jian Ping Lou、Christophe Michoud、Louis Portland、Nicole Jackson、Jin-Jun Liu、Fred Konzelmann、Feng Chi、Christian Tovar、Qing Xiang、Yingsi Chen、Yang Wen、Lyubomir T. Vassilev

  DOI：10.1016/j.bmcl.2007.01.081

  日期：2007.4

  A novel series of quinolinyl-methylene-thiazolinones has been identified as potent and selective cyclin-dependent kinase I (CDK1) inhibitors. Their synthesis and structure activity relationships (SAR) are described. Representative compounds from this class reversibly inhibit CDK1 activity in vitro, and block cell cycle progression in human tumor cell lines, suggesting a potential use as antitumor agents. (c) 2007 Elsevier Ltd. All rights reserved.