benzo[c][1,2,5]oxadiazol-4-ylmethanamine | 1314952-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: benzo[c][1,2,5]oxadiazol-4-ylmethanamine
• 英文别名: 2,1,3-benzoxadiazol-4-ylmethanamine
• CAS: 1314952-30-1
• 化学式: C₇H₇N₃O
• mdl: MFCD19215927
• 分子量: 149.152
• InChiKey: NYGJSNSHXJNZPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  benzo[c][1,2,5]oxadiazol-4-ylmethanamine 、 8-Bromo-2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)quinoxaline 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 甲苯 为溶剂， 生成 N-(benzo[c][1,2,5]oxadiazol-4-ylmethyl)-3-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-amine
  参考文献：
  名称：

  Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase

  摘要：

  A series of quinoxaline inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and optimisation of the series was performed on the basis of this structure. Future directions for development of the series are discussed together with the identification of a novel quinoline scaffold.

  DOI：

  10.1016/j.bmcl.2008.11.062
• 作为产物：
  描述：

  苯并二唑-4-甲醛 在 三乙基硅烷 、 三氟乙酸 作用下， 以 乙腈 为溶剂， 反应 17.0h， 生成 benzo[c][1,2,5]oxadiazol-4-ylmethanamine
  参考文献：
  名称：

  [EN] TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS
  [FR] INHIBITEURS DE KARS DÉPENDANT D'AKR1C3 TRICYCLIQUES

  摘要：

  本发明涉及新型三环化合物，这些化合物是AKR1C3依赖的KARS抑制剂，涉及其制备方法、药物组合物、含有它们的药物以及它们在由AKR1C3依赖的KARS抑制剂介导的疾病和疾患中的应用。

  公开号：

  WO2021005586A1

文献信息

• Pyrazolo-triazine derivatives as selective cyclin-dependent kinase inhinitors
  申请人：Lead Discovery Center GmbH

  公开号：EP2634190A1

  公开（公告）日：2013-09-04

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.

  本发明涉及吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用可接受盐，以及这些衍生物作为药用活性剂的用途，特别是用于预防和/或治疗传染病，包括机会性疾病、免疫疾病、自身免疫疾病、心血管疾病、细胞增殖性疾病、炎症、勃起功能障碍和中风，以及含有至少一种所述吡唑并[1,5-a][1,3,5]三嗪衍生物和/或其药用可接受盐的药物组合物。此外，本发明涉及将所述吡唑并[1,5-a][1,3,5]三嗪衍生物用作蛋白激酶的抑制剂。
• PYRAZOLO-TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN-DEPENDENT KINASE INHIBITORS
  申请人：Lead Discovery Center GmbH

  公开号：EP2820020B1

  公开（公告）日：2016-04-06
• [EN] PYRAZOLO - TRIAZINE DERIVATIVES AS SELECTIVE CYCLIN- DEPENDENT KINASE INHINITORS<br/>[FR] DÉRIVÉS PYRAZOLO-TRIAZINE UTILES EN TANT QU'INHIBITEURS DES KINASES DÉPENDANT DES CYCLINES
  申请人：LEAD DISCOVERY CENTER GMBH

  公开号：WO2013128028A1

  公开（公告）日：2013-09-06

  The present invention relates to pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof, the use of these derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases, including opportunistic diseases, immunological diseases, autoimmune diseases, cardiovascular diseases, cell proliferative diseases, inflammation, erectile dysfunction and stroke, and pharmaceutical compositions containing at least one of said pyrazolo[1,5-a][1,3,5]triazine derivatives and/or pharmaceutically acceptable salts thereof. Furthermore, the present invention relates to the use of said pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors for a protein kinase.
• Discovery of a novel series of quinoxalines as inhibitors of c-Met kinase
  作者：John Porter、Simon Lumb、Fabien Lecomte、James Reuberson、Anne Foley、Mark Calmiano、Kelly le Riche、Helen Edwards、Jean Delgado、Richard J. Franklin、Jose M. Gascon-Simorte、Alison Maloney、Christoph Meier、Mark Batchelor

  DOI：10.1016/j.bmcl.2008.11.062

  日期：2009.1

  A series of quinoxaline inhibitors of c-Met kinase is described. The postulated binding mode was confirmed by an X-ray crystal structure and optimisation of the series was performed on the basis of this structure. Future directions for development of the series are discussed together with the identification of a novel quinoline scaffold.
• [EN] TRICYCLIC AKR1C3 DEPENDENT KARS INHIBITORS<br/>[FR] INHIBITEURS DE KARS DÉPENDANT D'AKR1C3 TRICYCLIQUES
  申请人：NOVARTIS AG

  公开号：WO2021005586A1

  公开（公告）日：2021-01-14

  The present invention relates to novel tricyclic compounds that are AKR1C3 dependent KARS inhibitor, processes for their preparation, pharmaceutical compositions, and medicaments containing them, and their use in diseases and disorders mediated by an AKR1C3 dependent KARS inhibitor.

  本发明涉及新型三环化合物，这些化合物是AKR1C3依赖的KARS抑制剂，涉及其制备方法、药物组合物、含有它们的药物以及它们在由AKR1C3依赖的KARS抑制剂介导的疾病和疾患中的应用。