2-(4-Bromo-phenyl)-3-chloro-2H-pyridazino[4,3-b]indole | 247094-69-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-Bromo-phenyl)-3-chloro-2H-pyridazino[4,3-b]indole
• 英文别名: 2-(4-Bromophenyl)-3-chloropyridazino[4,3-b]indole
• CAS: 247094-69-5
• 化学式: C₁₆H₉BrClN₃
• 分子量: 358.625
• InChiKey: TYUSDROYPOBAAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-Bromo-phenyl)-3-chloro-2H-pyridazino[4,3-b]indole 以 甲醇 为溶剂， 反应 2.67h， 生成 2-(4-Bromo-phenyl)-5-methyl-2,5-dihydro-pyridazino[4,3-b]indol-3-one
  参考文献：
  名称：

  Synthesis and structure–affinity relationships at the central benzodiazepine receptor of pyridazino[4,3- b ]indoles and Indeno[1,2- c ]pyridazines

  摘要：

  A series of 2-aryl-3-chloro-2H-pyridazino[4,3-b]indoles, 2-aryl-3-methoxy-2H-pyridazino[4,3-b]indoles, and 2-aryl-2,5-dihydroindeno[1,2-c]pyridazino-3(3H)-ones has been prepared and tested for their ability to inhibit the [3H]flunitrazepam binding to the central benzodiazepine receptor. SAR are presented and discussed in comparison with existing pharmacophore models. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00093-0
• 作为产物：
  描述：

  2-(4-Bromo-phenyl)-2,5-dihydro-pyridazino[4,3-b]indol-3-one 在 三氯氧磷 作用下， 反应 3.0h， 以73%的产率得到2-(4-Bromo-phenyl)-3-chloro-2H-pyridazino[4,3-b]indole
  参考文献：
  名称：

  Synthesis and structure–affinity relationships at the central benzodiazepine receptor of pyridazino[4,3- b ]indoles and Indeno[1,2- c ]pyridazines

  摘要：

  A series of 2-aryl-3-chloro-2H-pyridazino[4,3-b]indoles, 2-aryl-3-methoxy-2H-pyridazino[4,3-b]indoles, and 2-aryl-2,5-dihydroindeno[1,2-c]pyridazino-3(3H)-ones has been prepared and tested for their ability to inhibit the [3H]flunitrazepam binding to the central benzodiazepine receptor. SAR are presented and discussed in comparison with existing pharmacophore models. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00093-0