(5-bromo-pyridin-3-yl)-(3-nitro-phenyl)-amine | 767342-19-8

• 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: (5-bromo-pyridin-3-yl)-(3-nitro-phenyl)-amine
• 英文别名: 5-Bromo-N-(3-nitrophenyl)pyridin-3-amine
• CAS: 767342-19-8
• 化学式: C₁₁H₈BrN₃O₂
• 分子量: 294.107
• InChiKey: UTQLVTLXTSYDQI-UHFFFAOYSA-N

物化性质

• 沸点：
  406.8±40.0 °C(Predicted)
• 密度：
  1.664±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  70.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-溴-3-氨基吡啶 、 3-硝基苯硼酸 在 吡啶 、 copper diacetate 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 (5-bromo-pyridin-3-yl)-(3-nitro-phenyl)-amine
  参考文献：
  名称：

  [EN] PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS
  [FR] COMPOSES SE LIANT AU SITE ACTIF D'ENZYMES PROTEINE KINASES

  摘要：

  公开号：

  WO2005003101A3

文献信息

• [EN] COMPOUNDS AND LIBRARIES OF PYRIDINES, PYRAZINES, IMIDAZO[1,2-A]PYRAZINES AND 1H-IMIDAZO[4,5-B]PYRAZIN-2-ONES AND FIRST AND SECOND MEDICAL USES THEREOF<br/>[FR] BIBLIOTHEQUE DE COMPOSES
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2004085409A3

  公开（公告）日：2004-12-23
• [EN] PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS<br/>[FR] COMPOSES SE LIANT AU SITE ACTIF D'ENZYMES PROTEINE KINASES
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2005003101A3

  公开（公告）日：2005-03-24
• PYRAZINE AND PYRIDINE DERIVATIVES AS RHO KINASE INHIBITORS
  申请人：Biofocus Discovery Ltd

  公开号：EP1644365A2

  公开（公告）日：2006-04-12
• Compounds Which Bind to the Active Site of Protein Kinase Enzymes
  申请人：Birault Veronique

  公开号：US20090163515A1

  公开（公告）日：2009-06-25

  The present invention relates to a compound and a group of compounds which are inhibitors of Rho kinase (ROK, ROCK). In addition, the invention relates to methods of treatment and use of the compounds in the manufacture of a medicament for application to a number of therapeutic indications including cardiovascular disease (coronary vasospasm, hypertensive disease, arteriosclerosis), stroke, cancer, erectile dysfunction, asthma, osteoporosis, glaucoma and AIDS. The compounds can be used in screening programmes against protein kinases. The invention also provides methods for making compounds and libraries that include these compounds.
• [EN] COMPOUND LIBRARIES<br/>[FR] BIBLIOTHEQUE DE COMPOSES
  申请人：BIOFOCUS DISCOVERY LTD

  公开号：WO2004085409A2

  公开（公告）日：2004-10-07

  The present invention relates to pyridine,pyrazine,imidoz[1,2a]pyrazine and 1H-imidoz[4,5-b]pyrazin-2-one compounds capable of binding to the active site of protein kinase enzymes. The invention further relates to libraries of these compounds and a family of libraries of these compounds for use in screening programmes against protein kinases as well as the individual compounds for use in hit to lead and lead optimisation projects, and similar stages in the drug discovery process. The invention also provides methods for making compounds and libraries, thereof.