4-(1-Methoxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-carbaldehyde | 502639-01-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: 4-(1-Methoxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-carbaldehyde
• 英文别名: 4-(1-methoxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-carbaldehyde
• CAS: 502639-01-2
• 化学式: C₂₀H₁₆N₂O₃
• 分子量: 332.359
• InChiKey: DIQVMPPICDWGDU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  64.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  吗啉 、 4-(1-Methoxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-carbaldehyde 在 polymer-bound trimethyl ammonium cyanoborohydride 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 以61%的产率得到N-methoxy-5-[5-(morpholin-4-ylmethyl)-2-pyridin-4-ylfuran-3-yl]-2,3-dihydroinden-1-imine
  参考文献：
  名称：

  The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase

  摘要：

  Modification of the potent imidazole-based B-Raf inhibitor SB-590885 resulted in the identification of a series of furan-based derivatives with enhanced CNS penetration. One such compound, SB-699393 (17), was examined in vivo to challenge the hypothesis that selective B-Raf inhibitors may be of value in the treatment of stroke. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.070
• 作为产物：
  描述：

  5-(2-Pyridin-4-ylfuran-3-yl)indan-1-one O-methyl oxime 、 N,N-二甲基甲酰胺 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 以56%的产率得到4-(1-Methoxyimino-2,3-dihydroinden-5-yl)-5-pyridin-4-ylfuran-2-carbaldehyde
  参考文献：
  名称：

  The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase

  摘要：

  Modification of the potent imidazole-based B-Raf inhibitor SB-590885 resulted in the identification of a series of furan-based derivatives with enhanced CNS penetration. One such compound, SB-699393 (17), was examined in vivo to challenge the hypothesis that selective B-Raf inhibitors may be of value in the treatment of stroke. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.070

文献信息

• The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase
  作者：Andrew K. Takle、Mark J. Bamford、Susannah Davies、Robert P. Davis、David K. Dean、Alessandra Gaiba、Elaine A. Irving、Frank D. King、Antoinette Naylor、Christopher A. Parr、Alison M. Ray、Alastair D. Reith、Beverley B. Smith、Penelope C. Staton、Jon G.A. Steadman、Tania O. Stean、David M. Wilson

  DOI：10.1016/j.bmcl.2008.06.070

  日期：2008.8

  Modification of the potent imidazole-based B-Raf inhibitor SB-590885 resulted in the identification of a series of furan-based derivatives with enhanced CNS penetration. One such compound, SB-699393 (17), was examined in vivo to challenge the hypothesis that selective B-Raf inhibitors may be of value in the treatment of stroke. (c) 2008 Elsevier Ltd. All rights reserved.