ethyl 3-(1-(tert-butyldimethylsilyloxy-imino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: ethyl 3-(1-(tert-butyldimethylsilyloxy-imino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate
• 英文别名: ethyl 3-(1-(tert-butyldimethylsilyloxyimino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate；ethyl 3-[[1-[tert-butyl(dimethyl)silyl]oxyimino-2,3-dihydroinden-5-yl]amino]thieno[2,3-c]pyridine-2-carboxylate
• 化学式: C₂₅H₃₁N₃O₃SSi
• 分子量: 481.691
• InChiKey: QEIVMKVZZODTPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.89
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 3-(1-(tert-butyldimethylsilyloxy-imino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate 在 三氟乙酸 作用下， 生成 ethyl 3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]thieno[2,3-c]pyridine-2-carboxylate
  参考文献：
  名称：

  The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors

  摘要：

  Virtual and high-throughput screening identified imidazo[1,2-a]pyrazines as inhibitors of B-Raf. We describe the rationale, SAR, and evolution of the initial hits to a series of furo[2,3-c]pyridine indanone oximes as highly potent and selective inhibitors of B-Raf. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.039
• 作为产物：
  描述：

  5-溴茚酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 caesium carbonate 、 对甲苯磺酸 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 甲苯 为溶剂， 生成 ethyl 3-(1-(tert-butyldimethylsilyloxy-imino)-2,3-dihydro-1H-inden-5-ylamino)thieno[2,3-c]pyridine-2-carboxylate
  参考文献：
  名称：

  The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors

  摘要：

  Virtual and high-throughput screening identified imidazo[1,2-a]pyrazines as inhibitors of B-Raf. We describe the rationale, SAR, and evolution of the initial hits to a series of furo[2,3-c]pyridine indanone oximes as highly potent and selective inhibitors of B-Raf. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.039

文献信息

• Raf inhibitor compounds and methods of use thereof
  申请人：Miknis Greg

  公开号：US20070049603A1

  公开（公告）日：2007-03-01

  Compounds of Formula I are useful for inhibiting Raf kinase and for treating disorders mediated thereby. Methods of using compounds of Formula I, and stereoisomers, geometric isomers, tautomers, solvates and pharmaceutically acceptable salts thereof, for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions are disclosed.

  公式I的化合物对抑制Raf激酶和治疗由此介导的疾病有用。公开了使用公式I的化合物及其立体异构体、几何异构体、互变异构体、溶剂合物和药学上可接受的盐，在哺乳动物细胞中进行体外、体内和体内诊断、预防或治疗此类疾病或相关病理条件的方法。
• The Discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors
  作者：Alex J. Buckmelter、Li Ren、Ellen R. Laird、Bryson Rast、Greg Miknis、Steve Wenglowsky、Stephen Schlachter、Mike Welch、Eugene Tarlton、Jonas Grina、Joseph Lyssikatos、Barbara J. Brandhuber、Tony Morales、Nikole Randolph、Guy Vigers、Matthew Martinson、Michele Callejo

  DOI：10.1016/j.bmcl.2010.12.039

  日期：2011.2

  Virtual and high-throughput screening identified imidazo[1,2-a]pyrazines as inhibitors of B-Raf. We describe the rationale, SAR, and evolution of the initial hits to a series of furo[2,3-c]pyridine indanone oximes as highly potent and selective inhibitors of B-Raf. (C) 2010 Elsevier Ltd. All rights reserved.