2-{1-[5-(4-methylphenyl)-2-furoyl]-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl}phenol | 1035232-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: 2-{1-[5-(4-methylphenyl)-2-furoyl]-3-pyridin-3-yl-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-(4-methylphenyl)furan-2-yl]methanone
• CAS: 1035232-41-7
• 化学式: C₂₆H₂₁N₃O₃
• 分子量: 423.471
• InChiKey: XVQJFVHBYCQBFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  78.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-(4-甲基苯基)-2-糠酸 、 2-(3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl)phenol 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 2-{1-[5-(4-methylphenyl)-2-furoyl]-3-pyridin-3-yl-4,5-dihydro-1H-pyrazol-5-yl}phenol
  参考文献：
  名称：

  Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors

  摘要：

  A high throughput screen identified N-aroylpyrazoline 1 as a selective inhibitor of the V600E mutant of B-Raf kinase. Parallel synthesis of acyl, aroyl, and sulfonyl derivatives led to the identification of several potent inhibitors in both enzymatic and cellular (pERK) assays such as compound 42. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.110

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 N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors
  作者：Christopher Blackburn、Matthew O. Duffey、Alexandra E. Gould、Bheemashankar Kulkarni、Jane X. Liu、Saurabh Menon、Masayuki Nagayoshi、Tricia J. Vos、Juliet Williams

  DOI：10.1016/j.bmcl.2010.06.110

  日期：2010.8

  A high throughput screen identified N-aroylpyrazoline 1 as a selective inhibitor of the V600E mutant of B-Raf kinase. Parallel synthesis of acyl, aroyl, and sulfonyl derivatives led to the identification of several potent inhibitors in both enzymatic and cellular (pERK) assays such as compound 42. (C) 2010 Elsevier Ltd. All rights reserved.