| 1170320-97-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• CAS: 1170320-97-4
• 化学式: C₁₈H₂₀N₂O₄S
• 分子量: 360.434
• InChiKey: IYDVMUUPUCPJMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.51
• 重原子数：
  25.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.31
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 sodium tetrahydroborate 、 nickel dichloride 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 以97%的产率得到N-(7-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-ethylbenzenesulfonamide
  参考文献：
  名称：

  Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel

  摘要：

  Aryl sulfonamido tetralins based on lead compound 2a were synthesized and evaluated for Kv1.5 inhibitory activity. Several compounds having IC50 values less then 0.1 mu M were identified. Kv1.5 inhibitors have the potential to be atrium-selective agents for the treatment of atrial fibrillation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.002
• 作为产物：
  描述：

  4-乙基苯磺酰氯 、 7-Nitro-1-amino-1,2,3,4-tetrahydronaphthalene 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以58%的产率得到
  参考文献：
  名称：

  Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel

  摘要：

  Aryl sulfonamido tetralins based on lead compound 2a were synthesized and evaluated for Kv1.5 inhibitory activity. Several compounds having IC50 values less then 0.1 mu M were identified. Kv1.5 inhibitors have the potential to be atrium-selective agents for the treatment of atrial fibrillation. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.002