4,4'-Bis-(2,6-dichloro-pyrimidin-4-ylamino)-biphenyl-2,2'-disulfonic acid | 844641-99-2

• 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: 4,4'-Bis-(2,6-dichloro-pyrimidin-4-ylamino)-biphenyl-2,2'-disulfonic acid
• CAS: 844641-99-2
• 化学式: C₂₀H₁₂Cl₄N₆O₆S₂
• 分子量: 638.296
• InChiKey: XBRFYKOIZHNKHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.53
• 重原子数：
  38.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  184.36
• 氢给体数：
  4.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  3-氨基-N,N-双(2-羟乙基)苯磺酰胺 、 4,4'-Bis-(2,6-dichloro-pyrimidin-4-ylamino)-biphenyl-2,2'-disulfonic acid 反应 5.5h， 生成 4,4'-Bis-(2,6-bis-{3-[bis-(2-hydroxy-ethyl)-sulfamoyl]-phenylamino}-pyrimidin-4-ylamino)-biphenyl-2,2'-disulfonic acid
  参考文献：
  名称：

  Pyrimidine containing RSV fusion inhibitors

  摘要：

  The knowledge of SAR in a series of biphenyl anionic RSV inhibitors has been broadened by synthesis and testing of analogs with pyrimidine linkers. Generally, pyrimidine compounds were much harder to synthesize, and their anti-RSV activity was lower in comparison with triazine analogs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.056
• 作为产物：
  描述：

  2,4,6-三氯嘧啶 、 联苯胺双磺酸 在 碳酸氢钠 作用下， 生成 4,4'-Bis-(2,6-dichloro-pyrimidin-4-ylamino)-biphenyl-2,2'-disulfonic acid
  参考文献：
  名称：

  Pyrimidine containing RSV fusion inhibitors

  摘要：

  The knowledge of SAR in a series of biphenyl anionic RSV inhibitors has been broadened by synthesis and testing of analogs with pyrimidine linkers. Generally, pyrimidine compounds were much harder to synthesize, and their anti-RSV activity was lower in comparison with triazine analogs. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.10.056