2-[Carbamoylmethyl-(3-nitro-benzenesulfonyl)-amino]acetamide | 333430-58-3

• 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-[Carbamoylmethyl-(3-nitro-benzenesulfonyl)-amino]acetamide
• 英文别名: 2-[(2-amino-2-oxoethyl)-(3-nitrophenyl)sulfonylamino]acetamide
• CAS: 333430-58-3
• 化学式: C₁₀H₁₂N₄O₆S
• 分子量: 316.294
• InChiKey: PKGAKHMCVNYNIY-UHFFFAOYSA-N

物化性质

• 熔点：
  252-254 °C(Solv: methanol (67-56-1))
• 沸点：
  660.6±65.0 °C(Predicted)
• 密度：
  1.570±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  178
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[Carbamoylmethyl-(3-nitro-benzenesulfonyl)-amino]acetamide 在 铁粉 、 溶剂黄146 作用下， 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
• 作为产物：
  描述：

  3-硝基苯磺酰氯 在 sodium hydride 、 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[Carbamoylmethyl-(3-nitro-benzenesulfonyl)-amino]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

• Preparation and purification of antiviral disulfonic acid disodium salt
  申请人：American Home Products Corporation

  公开号：US20020151548A1

  公开（公告）日：2002-10-17

  The present invention provides a new process and intermediates for the production of antiviral compound 4′,4-bis-{4,6-bis-[3-(bis-carbamoyl-methyl-1-sulfamoyl)-phenylamino]-[1,3,5]triazin-2-ylamino}-biphenyl-2,2′-disulfonic acid and its pharmaceutically acceptable salts.

  本发明提供了一种用于制备抗病毒化合物4′，4-双[4,6-双(3-(双氨基甲酰基甲基-1-磺酰基)-苯基氨基)-[1,3,5]三嗪-2-基]联苯-2,2′-二磺酸及其药学上可接受的盐的新工艺和中间体。
• US6806366B2
  申请人：——

  公开号：US6806366B2

  公开（公告）日：2004-10-19
• US6960686B2
  申请人：——

  公开号：US6960686B2

  公开（公告）日：2005-11-01
• [EN] PREPARATION AND PURIFICATION OF ANTIVIRAL DISULFONIC ACID DISODIUM SALT<br/>[FR] PREPARATION ET PURIFICATION DE SEL DISODIQUE D'ACIDE SULFONIQUE ANTIVIRAL
  申请人：WYETH CORP

  公开号：WO2002062769A2

  公开（公告）日：2002-08-15

  The present invention provides a new process and intermediates for the production of antiviral compound 4',4-bis-4,6-bis-[bis-carbamoyl-methyl-1-sulfamoyl)phenylamino]-[1,3,5]triazin-2-ylamino}-biephenyl-2,2'-disulfonic acid and its pharmaceutically acceptable salts.
• 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.