ethyl 2-(N-(4-nitrophenyl)sulfonyl-2-phenylanilino)acetate | 1217169-38-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-(N-(4-nitrophenyl)sulfonyl-2-phenylanilino)acetate
• CAS: 1217169-38-4
• 化学式: C₂₂H₂₀N₂O₆S
• 分子量: 440.477
• InChiKey: UYFSSDSEZZLALP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  ethyl 2-(N-(4-nitrophenyl)sulfonyl-2-phenylanilino)acetate 在 水 、 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 4.0h， 以100%的产率得到N-([1,1′-biphenyl]-2-yl)-N-(4-nitrobenzenesulfonyl)glycine
  参考文献：
  名称：

  Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants

  摘要：

  New structural classes of K(V)1.3 and IK-1 ion channel blockers have been identified based on a virtual high throughput screening approach using a homology model of KcsA. These compounds display inhibitory effects on T-cell and/or keratinocyte proliferation and immunosuppressant activity within a DTH animal model. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.077
• 作为产物：
  描述：

  N-([1,1'-biphenyl]-2-yl)-4-nitrobenzenesulfonamide 、 溴乙酸乙酯 在 sodium carbonate 作用下， 以 甲苯 为溶剂， 反应 4.0h， 生成 ethyl 2-(N-(4-nitrophenyl)sulfonyl-2-phenylanilino)acetate
  参考文献：
  名称：

  Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants

  摘要：

  New structural classes of K(V)1.3 and IK-1 ion channel blockers have been identified based on a virtual high throughput screening approach using a homology model of KcsA. These compounds display inhibitory effects on T-cell and/or keratinocyte proliferation and immunosuppressant activity within a DTH animal model. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.077

文献信息

• Inhibitors of potassium channels KV1.3 and IK-1 as immunosuppressants
  作者：Stefano Pegoraro、Martin Lang、Tobias Dreker、Jürgen Kraus、Svetlana Hamm、Cathal Meere、Juliane Feurle、Stefan Tasler、Sylvia Prütting、Zerrin Kuras、Violeta Visan、Stephan Grissmer

  DOI：10.1016/j.bmcl.2009.02.077

  日期：2009.4

  New structural classes of K(V)1.3 and IK-1 ion channel blockers have been identified based on a virtual high throughput screening approach using a homology model of KcsA. These compounds display inhibitory effects on T-cell and/or keratinocyte proliferation and immunosuppressant activity within a DTH animal model. (c) 2009 Elsevier Ltd. All rights reserved.