N-Methyl-4-nitro-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide | 227953-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶嗪类
• 英文名称: N-Methyl-4-nitro-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide
• 英文别名: N-methyl-4-nitro-N-(4-oxo-3,1-benzoxazin-2-yl)benzenesulfonamide
• CAS: 227953-09-5
• 化学式: C₁₅H₁₁N₃O₆S
• 分子量: 361.335
• InChiKey: RVBJLIXVRSKZML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-Methyl-4-nitro-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide 在 palladium on activated charcoal 1,4-环己二烯 作用下， 以67%的产率得到4-Amino-N-methyl-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide
  参考文献：
  名称：

  Benzenesulfonamide derivatives of 2-substituted 4H-3,1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease

  摘要：

  A series of 2-sulfonyl-4H-3,1 -benzoxazinones was prepared that inhibit Clr protease in vitro. Several compounds were found to be selective for Clr verses the related serine protease trypsin. Selected compounds demonstrated functional activity in a hemolysis assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00095-5
• 作为产物：
  描述：

  甲基2-[(甲基氨基甲酰)氨基]苯酸酯 在 吡啶 、 4-二甲氨基吡啶 、 硫酸 作用下， 生成 N-Methyl-4-nitro-N-(4-oxo-4H-benzo[d][1,3]oxazin-2-yl)-benzenesulfonamide
  参考文献：
  名称：

  Benzenesulfonamide derivatives of 2-substituted 4H-3,1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease

  摘要：

  A series of 2-sulfonyl-4H-3,1 -benzoxazinones was prepared that inhibit Clr protease in vitro. Several compounds were found to be selective for Clr verses the related serine protease trypsin. Selected compounds demonstrated functional activity in a hemolysis assay. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00095-5

文献信息

• Benzenesulfonamide derivatives of 2-substituted 4H-3,1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease
  作者：Janet S. Plummer、Cuiman Cai、Sheryl J. Hays、John L. Gilmore、Mark R. Emmerling、Walter Michael、Lakshmi S. Narasimhan、M.Desiree Watson、Kevin Wang、Rathna Nath、Lori M. Evans、Juan C. Jaen

  DOI：10.1016/s0960-894x(99)00095-5

  日期：1999.3

  A series of 2-sulfonyl-4H-3,1 -benzoxazinones was prepared that inhibit Clr protease in vitro. Several compounds were found to be selective for Clr verses the related serine protease trypsin. Selected compounds demonstrated functional activity in a hemolysis assay. (C) 1999 Elsevier Science Ltd. All rights reserved.