4-[(S)-2-amino-2-(5-methyl-oxazol-2-yl)-ethyl]-phenol | 927425-92-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-[(S)-2-amino-2-(5-methyl-oxazol-2-yl)-ethyl]-phenol
• 英文别名: 4-[(2S)-2-amino-2-(5-methyl-1,3-oxazol-2-yl)ethyl]phenol
• CAS: 927425-92-1
• 化学式: C₁₂H₁₄N₂O₂
• 分子量: 218.255
• InChiKey: MAGNWBLMIDLSRC-NSHDSACASA-N

物化性质

• 沸点：
  379.3±42.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  72.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-tert-butyl (2S,3S)-2-[2-(tert-butyldimethylsilanyloxy)-ethyl]-3-[(E)-8-(2-heptyl-[1,3]dioxolan-2-yl)-oct-1-enyl]-2-hydroxy-succinate 、 4-[(S)-2-amino-2-(5-methyl-oxazol-2-yl)-ethyl]-phenol 在 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-) 、 柠檬酸 作用下， 以 N,N-二甲基甲酰胺 、 水 、 乙腈 为溶剂， 反应 6.0h， 以3%的产率得到tert-butyl (E)-(2S,3S)-2-hydroxy-2-(2-hydroxy-ethyl)-3-[(S)-2-(4-hydroxy-phenyl)-1-(5-methyl-oxazol-2-yl)-ethylcarbamoyl]-12-oxo-nonadec-4-enoate
  参考文献：
  名称：

  EP2886530

  摘要：

  公开号：
• 作为产物：
  描述：

  3-(4-benzyloxy-phenyl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-N-(2-oxo-propyl)-propionamide 在 硫酸 、 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 4-[(S)-2-amino-2-(5-methyl-oxazol-2-yl)-ethyl]-phenol
  参考文献：
  名称：

  NOVEL HIGH AFFINITY QUINOLINE-BASED KINASE LIGANDS

  摘要：

  公开号：

  EP1931657B1

文献信息

• Novel high affinity quinoline-based kinase ligands
  申请人：Deng Yongqi

  公开号：US20080045568A1

  公开（公告）日：2008-02-21

  Quinoline-based inhibitors of cyclin dependent kinase 2, compositions including the inhibitors, and methods of using the inhibitors and inhibitor compositions are described. The inhibitors and compositions including them are useful for treating disease or disease symptoms. The invention also provides for methods of making CDK-2 inhibitor compounds, methods of inhibiting CDK-2, and methods for treating disease or disease symptoms.

  基于喹啉的细胞周期蛋白依赖激酶2抑制剂，包括这些抑制剂的组合物，以及使用这些抑制剂和抑制剂组合物的方法。这些抑制剂和包括它们的组合物对治疗疾病或疾病症状有用。该发明还提供了制备CDK-2抑制剂化合物的方法，抑制CDK-2的方法，以及治疗疾病或疾病症状的方法。
• ORALLY AVAILABLE VIRIDIOFUNGIN DERIVATIVE POSSESSING ANTI-HCV ACTIVITY
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20150210666A1

  公开（公告）日：2015-07-30

  An object of the present invention is to provide a compound that is useful as an orally available anti-HCV agent. The present invention relates to a compound represented by formula (1) or a pharmaceutically acceptable salt thereof. This compound has an anti-HCV activity and is useful as a medicine.

  本发明的目的是提供一种可口服的抗丙型肝炎病毒药物化合物。本发明涉及一种由式（1）所表示的化合物或其药学上可接受的盐。该化合物具有抗丙型肝炎病毒的活性，是一种有用的药物。
• ORALLY ADMINISTRABLE VIRIDIOFUNGIN DERIVATIVE HAVING ANTI-HCV ACTIVITY
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2886530A1

  公开（公告）日：2015-06-24

  An object of the present invention is to provide a compound that is useful as an orally available anti-HCV agent. The present invention relates to a compound represented by formula (1) or a pharmaceutically acceptable salt thereof. This compound has an anti-HCV activity and is useful as a medicine.

  本发明的目的是提供一种可用作口服抗 HCV 药物的化合物。本发明涉及一种由式（1）表示的化合物或其药学上可接受的盐。该化合物具有抗 HCV 活性，可用作药物。
• Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor
  作者：Yongqi Deng、Gerald W. Shipps、Lianyun Zhao、M. Arshad Siddiqui、Janeta Popovici-Muller、Patrick J. Curran、Jose S. Duca、Alan W. Hruza、Thierry O. Fischmann、Vincent S. Madison、Rumin Zhang、Charles W. McNemar、Todd W. Mayhood、Rosalinda Syto、Allen Annis、Paul Kirschmeier、Emma M. Lees、David A. Parry、William T. Windsor

  DOI：10.1016/j.bmcl.2013.11.041

  日期：2014.1

  A new class of quinoline-based kinase inhibitors has been discovered that both disrupt cyclin dependent 2 (CDK2) interaction with its cyclin A subunit and act as ATP competitive inhibitors. The key strategy for discovering this class of protein-protein disrupter compounds was to screen the monomer CDK2 in an affinity-selection/mass spectrometry-based technique and to perform secondary assays that identified compounds that bound only to the inactive CDK2 monomer and not the active CDK2/cyclin A heterodimer. Through a series of chemical modifications the affinity (Kd) of the original hit improved from 1 to 0.005μM.
• US7511063B2
  申请人：——

  公开号：US7511063B2

  公开（公告）日：2009-03-31