4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benzo[d]oxazol-2-ylamino)-N,N,2-trimethylbenzamide | 1013641-76-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benzo[d]oxazol-2-ylamino)-N,N,2-trimethylbenzamide
• 英文别名: 4-[[7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-1,3-benzoxazol-2-yl]amino]-N,N,2-trimethylbenzamide
• CAS: 1013641-76-3
• 化学式: C₂₈H₂₈F₂N₄O₃
• 分子量: 506.552
• InChiKey: MBBPTMKXDHVDSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  70.8
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-[2,6-difluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-morpholine 、 4-(7-bromo-benzooxazol-2-ylamino)-2,N,N-trimethyl-benzamide 在 potassium phosphate 、 四(三苯基膦)钯 作用下， 以 乙二醇二甲醚 为溶剂， 生成 4-(7-(3,5-difluoro-4-(morpholinomethyl)phenyl)benzo[d]oxazol-2-ylamino)-N,N,2-trimethylbenzamide
  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

• Benzoxazoles and Oxazolopyridines Being Useful as Janus Kinases Inhibitors
  申请人：Gerspacher Marc

  公开号：US20100009978A1

  公开（公告）日：2010-01-14

  The invention relates to 2,7-disubstituted benzoxazole and 2,4-disubstituted oxazolo[5,4-c]pyridine compounds of the formula I given below, as well as salts thereof, processes for the preparation thereof, the application thereof in a process for the treatment of the human or animal body, these compounds for use in the treatment (including prophylaxis) of the animal, especially human, body (especially with regard to a proliferative disease), the use thereof—alone or in combination with one or more other pharmaceutically active compounds—for the treatment especially of a protein tyrosine kinase mediated disease (such as a tumor disease) or for the manufacture of a pharmaceutical preparation for use in the treatment of such a disease, a method for the treatment of such a disease and a pharmaceutical preparation for the treatment of a disease as mentioned. The compounds are of the formula I, wherein the symbols are as defined in the description. The compounds inhibit, for example, JAK2 and JAK3.

  本发明涉及以下式I所示的2,7-二取代苯并噁唑和2,4-二取代噁唑并[5,4-c]吡啶化合物及其盐，以及其制备方法、在人或动物体内治疗过程中的应用，这些化合物用于动物（特别是人体）的治疗（包括预防），特别是与增殖性疾病有关的治疗，其使用 - 单独或与一个或多个其他药理活性化合物结合使用 - 用于治疗特别是蛋白酪氨酸激酶介导的疾病（如肿瘤疾病）或制造用于治疗此类疾病的制药制剂，以及用于治疗此类疾病的方法和制药制剂。这些化合物的式I如描述中所定义的符号。这些化合物可以抑制例如JAK2和JAK3。
• BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS
  申请人：Novartis AG

  公开号：EP2066647B1

  公开（公告）日：2011-11-09
• US8629168B2
  申请人：——

  公开号：US8629168B2

  公开（公告）日：2014-01-14
• 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.