(2-Fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)(morpholino)methanone | 1220893-45-7

• 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: (2-Fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)(morpholino)methanone
• 英文别名: [2-fluoro-4-[2-(3,4,5-trimethoxyanilino)-1,3-benzoxazol-7-yl]phenyl]-morpholin-4-ylmethanone
• CAS: 1220893-45-7
• 化学式: C₂₇H₂₆FN₃O₆
• 分子量: 507.518
• InChiKey: MTBQULNINNEDEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  95.3
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  7-bromo-N-(3,4,5-trimethoxyphenyl)benzo[d]oxazol-2-amine 、 (2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborol-2-yl)phenyl)(morpholinyl)methanone 在 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 为溶剂， 生成 (2-Fluoro-4-(2-(3,4,5-trimethoxyphenylamino)benzo[d]oxazol-7-yl)phenyl)(morpholino)methanone
  参考文献：
  名称：

  2-Amino-aryl-7-aryl-benzoxazoles as potent, selective and orally available JAK2 inhibitors

  摘要：

  A series of novel benzoxazole derivatives has been designed and shown to exhibit attractive JAK2 inhibitory profiles in biochemical and cellular assays, capable of delivering compounds with favorable PK properties in rats. Synthesis and structure-activity relationship data are also provided. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.069

文献信息

• 2-Amino-aryl-7-aryl-benzoxazoles as potent, selective and orally available JAK2 inhibitors
  作者：Marc Gerspacher、Pascal Furet、Carole Pissot-Soldermann、Christoph Gaul、Philipp Holzer、Eric Vangrevelinghe、Marc Lang、Dirk Erdmann、Thomas Radimerski、Catherine H. Regnier、Patrick Chene、Alain De Pover、Francesco Hofmann、Fabienne Baffert、Thomas Buhl、Reiner Aichholz、Francesca Blasco、Ralf Endres、Jörg Trappe、Peter Drueckes

  DOI：10.1016/j.bmcl.2010.01.069

  日期：2010.3

  A series of novel benzoxazole derivatives has been designed and shown to exhibit attractive JAK2 inhibitory profiles in biochemical and cellular assays, capable of delivering compounds with favorable PK properties in rats. Synthesis and structure-activity relationship data are also provided. (C) 2010 Elsevier Ltd. All rights reserved.