2-(3-pyridin-3-yl-1-{[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-thienyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-yl)phenol | 1035233-19-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 2-(3-pyridin-3-yl-1-{[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-thienyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-yl)phenol
• 英文别名: [3-(2-Hydroxyphenyl)-5-pyridin-3-yl-3,4-dihydropyrazol-2-yl]-[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)thiophen-2-yl]methanone
• CAS: 1035233-19-2
• 化学式: C₂₈H₂₄N₄O₂S
• 分子量: 480.59
• InChiKey: VDCDDVXDIDNVQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl)phenol 、 5-(1,2,3,4-tetrahydroisoquinolin-6-yl)thiophene-2-carboxylic acid 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 2-(3-pyridin-3-yl-1-{[5-(1,2,3,4-tetrahydroisoquinolin-6-yl)-2-thienyl]carbonyl}-4,5-dihydro-1H-pyrazol-5-yl)phenol
  参考文献：
  名称：

  Discovery and optimization of pyrazoline compounds as B-Raf inhibitors

  摘要：

  The discovery of novel pyrazoline derivatives as B-Raf (V600E) inhibitors is described in this report. Chemical modi. cation of the pyrazoline scaffold led to the development of SAR and identified potent and selective inhibitors of B-Raf (V600E). Determination of the pharmacokinetic properties of selected inhibitors is also reported. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.113

文献信息

• Certain pyrazoline derivatives with kinase inhibitory activity
  申请人：Adams Ruth S.

  公开号：US20080171754A1

  公开（公告）日：2008-07-17

  The present invention provides certain pyrazoline compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions and methods of using the compositions in the treatment of various diseases.

  本发明提供了某些吡唑啉化合物，可用作蛋白激酶的抑制剂。该发明还提供了药物组合物和使用这些组合物治疗各种疾病的方法。
• US7795249B2
  申请人：——

  公开号：US7795249B2

  公开（公告）日：2010-09-14
• Discovery and optimization of pyrazoline compounds as B-Raf inhibitors
  作者：Matthew O. Duffey、Ruth Adams、Christopher Blackburn、Ryan W. Chau、Susan Chen、Katherine M. Galvin、Khristofer Garcia、Alexandra E. Gould、Paul D. Greenspan、Sean Harrison、Shih-Chung Huang、Mi-Sook Kim、Bheemashankar Kulkarni、Steven Langston、Jane X. Liu、Li-Ting Ma、Saurabh Menon、Masayuki Nagayoshi、R. Scott Rowland、Tricia J. Vos、Tianlin Xu、Johnny J. Yang、Shaoxia Yu、Qin Zhang

  DOI：10.1016/j.bmcl.2010.06.113

  日期：2010.8

  The discovery of novel pyrazoline derivatives as B-Raf (V600E) inhibitors is described in this report. Chemical modi. cation of the pyrazoline scaffold led to the development of SAR and identified potent and selective inhibitors of B-Raf (V600E). Determination of the pharmacokinetic properties of selected inhibitors is also reported. (C) 2010 Elsevier Ltd. All rights reserved.