2-[(2-Amino-2-oxoethyl)-[3-[[4-[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]sulfonylamino]acetamide | 197367-22-9

• 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: 2-[(2-Amino-2-oxoethyl)-[3-[[4-[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]sulfonylamino]acetamide
• CAS: 197367-22-9
• 化学式: C₂₃H₂₆ClN₁₁O₈S₂
• 分子量: 684.113
• InChiKey: QVKKEYVQKIWLHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  45
• 可旋转键数：
  16
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  327
• 氢给体数：
  6
• 氢受体数：
  15

反应信息

• 作为反应物：
  描述：

  sodium 4,4'-diamino-[1,1'-biphenyl]-2,2'-disulfonate 、 2-[(2-Amino-2-oxoethyl)-[3-[[4-[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]sulfonylamino]acetamide 在 sodium hydroxide 、 phosphate buffer 作用下， 以 二甲基亚砜 为溶剂， 反应 1.0h， 以10%的产率得到4,4’-bis[[4,6-bis[[3-[[bis(2-amino-2-oxoethyl)amino]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-[1,1‘-biphenyl]-2,2’-disulfonic acid disodium salt
  参考文献：
  名称：

  The discovery of RFI-641 as a potent and selective inhibitor of the respiratory syncytial virus

  摘要：

  The design and synthesis of a new potent and selective inhibitor of the respiratory syncytial virus are described. This compound, RFI-641, emerged From analysis of the structure-activity relationship in a series of biphenyl triazine anionic compounds possessing specific anti-RSV activity. The key synthetic step involves coupling of diaminobiphenyl 11 with two equivalents of chlorotriazine 10 under microwave conditions. RFI-641 inhibited RSV in vitro and in vivo models. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00150-0
• 作为产物：
  描述：

  3-硝基苯磺酰氯 在 铁粉 、 sodium hydride 、 碳酸氢钠 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(2-Amino-2-oxoethyl)-[3-[[4-[3-[bis(2-amino-2-oxoethyl)sulfamoyl]anilino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]sulfonylamino]acetamide
  参考文献：
  名称：

  The discovery of RFI-641 as a potent and selective inhibitor of the respiratory syncytial virus

  摘要：

  The design and synthesis of a new potent and selective inhibitor of the respiratory syncytial virus are described. This compound, RFI-641, emerged From analysis of the structure-activity relationship in a series of biphenyl triazine anionic compounds possessing specific anti-RSV activity. The key synthetic step involves coupling of diaminobiphenyl 11 with two equivalents of chlorotriazine 10 under microwave conditions. RFI-641 inhibited RSV in vitro and in vivo models. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00150-0

文献信息

• The discovery of RFI-641 as a potent and selective inhibitor of the respiratory syncytial virus
  作者：Antonia A Nikitenko、Yuri E Raifeld、T.Z Wang

  DOI：10.1016/s0960-894x(01)00150-0

  日期：2001.4

  The design and synthesis of a new potent and selective inhibitor of the respiratory syncytial virus are described. This compound, RFI-641, emerged From analysis of the structure-activity relationship in a series of biphenyl triazine anionic compounds possessing specific anti-RSV activity. The key synthetic step involves coupling of diaminobiphenyl 11 with two equivalents of chlorotriazine 10 under microwave conditions. RFI-641 inhibited RSV in vitro and in vivo models. (C) 2001 Elsevier Science Ltd. All rights reserved.