(3-aminopyrazin-2-yl)(4-chlorophenyl)methanone | 1188410-06-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3-aminopyrazin-2-yl)(4-chlorophenyl)methanone
• 英文别名: (3-amino-pyrazin-2-yl)-(4-chloro-phenyl)-methanone；(3-aminopyrazin-2-yl)-(4-chlorophenyl)methanone
• CAS: 1188410-06-1
• 化学式: C₁₁H₈ClN₃O
• 分子量: 233.657
• InChiKey: JPPGVSVJDZOKDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 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：
  68.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3-aminopyrazin-2-yl)(4-chlorophenyl)methanone 在 吡啶 、 盐酸 、 palladium diacetate 、 tetra-N-butylammonium tribromide 、 caesium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 一水合肼 作用下， 以 乙醇 、 氯仿 、 水 、 乙二醇 、 甲苯 为溶剂， 反应 11.5h， 生成 2-benzyl-8-(4-chlorobenzyl)-6-phenylimidazo[1,2-a]pyrazin-3(7H)-one
  参考文献：
  名称：

  New red-shifted coelenterazine analogues with an extended electronic conjugation

  摘要：

  A new promising approach to the development of red-shifted coelenterazine analogues was described. In order to alter the photochemical properties of native coelenterazine, we have designed and synthesized analogues bearing a new electron-rich structure. The spectroscopic results obtained, in the presence of the target enzyme (Renilla Luciferase), show a bathochromic emission shift of the entire class of new derivatives. Among them, the 2-benzyl-8-(4-chlorophenylthio)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one (8) shows an emission at 510 nm and uncommon slow kinetic decay. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.041
• 作为产物：
  描述：

  (4-chlorophenyl)(3-chloropyrazin-2-yl)methanone 在 氨 作用下， 以 水 、 正丁醇 为溶剂， 反应 0.5h， 以83%的产率得到(3-aminopyrazin-2-yl)(4-chlorophenyl)methanone
  参考文献：
  名称：

  New red-shifted coelenterazine analogues with an extended electronic conjugation

  摘要：

  A new promising approach to the development of red-shifted coelenterazine analogues was described. In order to alter the photochemical properties of native coelenterazine, we have designed and synthesized analogues bearing a new electron-rich structure. The spectroscopic results obtained, in the presence of the target enzyme (Renilla Luciferase), show a bathochromic emission shift of the entire class of new derivatives. Among them, the 2-benzyl-8-(4-chlorophenylthio)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one (8) shows an emission at 510 nm and uncommon slow kinetic decay. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.041

文献信息

• Organic compounds
  申请人：BRUCE Ian

  公开号：US20090239847A1

  公开（公告）日：2009-09-24

  The present invention concerns a compound of formula (I) or a salt, suitably a pharmaceutically acceptable salt, or solvate thereof, wherein the groups R 1 , R 2 , Ar′, A and Y are defined in the description, to compositions and use of the compounds in the treatment of inflammatory and allergic conditions.

  本发明涉及一种化合物，其化学式为(I)或其盐，适宜为药用可接受的盐，或其溶剂化合物，其中基团R1、R2、Ar′、A和Y在描述中有定义，以及该化合物在治疗炎症和过敏症状中的应用。
• Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme
  申请人：Novartis AG

  公开号：US08268834B2

  公开（公告）日：2012-09-18

  The present invention concerns a compound of formula (I) or a salt, suitably a pharmaceutically acceptable salt, or solvate thereof, wherein the groups R1, R2, Ar′, A and Y are defined in the description, to compositions and use of the compounds in the treatment of inflammatory and allergic conditions.

  本发明涉及化合物公式(I)或其盐，适宜的是药学上可接受的盐或其溶剂，其中基团R1、R2、Ar'、A和Y在说明中定义，以及该化合物在治疗炎症和过敏症状中的组成和用途。
• Organic Compounds
  申请人：Bruce Ian

  公开号：US20120214800A1

  公开（公告）日：2012-08-23

  The present invention concerns a compound of formula (I) or a salt, suitably a pharmaceutically acceptable salt, or solvate thereof, wherein the groups R 1 , R 2 , Ar′, A and Y are defined in the description, to compositions and use of the compounds in the treatment of inflammatory and allergic conditions.

  本发明涉及公式(I)的化合物或其盐，适当地为药学上可接受的盐或其溶剂，其中组R1，R2，Ar′，A和Y在说明中定义，以及该化合物在治疗炎症和过敏症状中的组合物和用途。
• PYRIDINES AND PYRAZINES AS INHIBITORS OF PI3K
  申请人：Novartis AG

  公开号：EP2257529A2

  公开（公告）日：2010-12-08
• US8268834B2
  申请人：——

  公开号：US8268834B2

  公开（公告）日：2012-09-18