(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)boronic acid | 1051316-42-7

• 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: (2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)boronic acid
• 英文别名: (2-Oxo-1,2,3,4-tetrahydroquinolin-6-yl)boronic acid；(2-oxo-3,4-dihydro-1H-quinolin-6-yl)boronic acid
• CAS: 1051316-42-7
• 化学式: C₉H₁₀BNO₃
• 分子量: 190.994
• InChiKey: WIVDQJWQFUTPOH-UHFFFAOYSA-N

物化性质

• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.75
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)boronic acid 在 四(三苯基膦)钯 、 sodium carbonate 、 三氟乙酸 作用下， 以 乙二醇二甲醚 、 二氯甲烷 为溶剂， 生成 3-Amino-1-methyl-5-(2-oxo-1,2,3,4-tetrahydro-quinolin-6-yl)-1,3-dihydro-benzo[e][1,4]diazepin-2-one
  参考文献：
  名称：

  High affinity, bioavailable 3-Amino-1,4-benzodiazepine-Based γ-Secretase inhibitors

  摘要：

  In this paper, we describe the development of a novel series of high affinity, orally bioavailable 3-amino-1,4 benzodiazepine-based gamma-secretase inhibitors for the potential treatment of Alzheimer's disease. We disclose structure-activity relationships based around the 1, 3 and 5 positions of the benzodiazepine core structure. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.031
• 作为产物：
  描述：

  C₉H₇LiNO^(1-)*Na⁽¹⁺⁾ 、 硼酸三甲酯 在 水 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 生成 (2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)boronic acid
  参考文献：
  名称：

  WO2006/113432

  摘要：

  公开号：

文献信息

• Compounds, Compositions, and Methods
  申请人：Adams Nicholas D.

  公开号：US20080176830A1

  公开（公告）日：2008-07-24

  Compounds useful for treating cellular proliferative diseases and disorders by modulating the activity of KSP are disclosed.

  本发明揭示了通过调节KSP的活性治疗细胞增殖性疾病和紊乱的有用化合物。
• Identification and SAR of a new series of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors
  作者：Yike Ni、Ariamala Gopalsamy、Derek Cole、Yonghan Hu、Rajiah Denny、Manus Ipek、Julie Liu、Julie Lee、J. Perry Hall、Michael Luong、Jean-Baptiste Telliez、Lih-Ling Lin

  DOI：10.1016/j.bmcl.2011.07.069

  日期：2011.10

  We report here the synthesis and SAR of a new series of thieno[3,2-d]pyrimidines as potent Tpl2 kinase inhibitors. The proposed binding mode suggests the potential flipped binding mode depending on the substitution. Biacore studies show evidence of binding of these molecules to the protein kinase. The kinome inhibition profile of these molecules suggests good selectivity. (C) 2011 Elsevier Ltd. All rights reserved.
• WO2006/113432
  申请人：——

  公开号：——

  公开（公告）日：——
• High affinity, bioavailable 3-Amino-1,4-benzodiazepine-Based γ-Secretase inhibitors
  作者：Andrew P. Owens、Alan Nadin、Adam C. Talbot、Earl E. Clarke、Timothy Harrison、Huw D. Lewis、Michael Reilly、Jonathan D.J. Wrigley、José L. Castro

  DOI：10.1016/j.bmcl.2003.07.031

  日期：2003.11

  In this paper, we describe the development of a novel series of high affinity, orally bioavailable 3-amino-1,4 benzodiazepine-based gamma-secretase inhibitors for the potential treatment of Alzheimer's disease. We disclose structure-activity relationships based around the 1, 3 and 5 positions of the benzodiazepine core structure. (C) 2003 Elsevier Ltd. All rights reserved.