2-Methylpropyl (2-sulfamoyl-1-benzothiophen-6-yl) carbonate | 96803-29-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻吩类
• 英文名称: 2-Methylpropyl (2-sulfamoyl-1-benzothiophen-6-yl) carbonate
• CAS: 96803-29-1
• 化学式: C₁₃H₁₅NO₅S₂
• 分子量: 329.398
• InChiKey: KJWAKZHPMNJIJQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  132
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-甲氧基苯硫酚 在 吡啶盐酸盐 、 potassium carbonate 、 三乙胺 作用下， 以 丙酮 为溶剂， 反应 18.5h， 生成 2-Methylpropyl (2-sulfamoyl-1-benzothiophen-6-yl) carbonate
  参考文献：
  名称：

  Topically active carbonic anhydrase inhibitors. 2. Benzo[b]thiophenesulfonamide derivatives with ocular hypotensive activity

  摘要：

  Derivatives of benzo[b]thiophene-2-sulfonamide were prepared to investigate their potential utility as topically active inhibitors of ocular carbonic anhydrase. Such an agent would be useful in the treatment of glaucoma. Among the compounds described are 6-hydroxybenzo[b]thiophene-2-sulfonamide (16) and its acetate ester (23), which are among the most potent ocular hypotensive agents in this class, as assessed in the alpha-chymotrypsinized rabbit. These compounds were selected for clinical evaluation.

  DOI：

  10.1021/jm00132a009

文献信息

• SHEPARD, K. L.;GRAHAM, S. L.
  作者：SHEPARD, K. L.、GRAHAM, S. L.

  DOI：——

  日期：——
• GRAHAM, SAMUEL L.;SHEPARD, KENNETH L.;ANDERSON, PAUL S.;BALDWIN, JOHN J.;+, J. MED. CHEM., 32,(1989) N2, C. 2548-2554
  作者：GRAHAM, SAMUEL L.、SHEPARD, KENNETH L.、ANDERSON, PAUL S.、BALDWIN, JOHN J.、+

  DOI：——

  日期：——
• Topically active carbonic anhydrase inhibitors. 2. Benzo[b]thiophenesulfonamide derivatives with ocular hypotensive activity
  作者：Samuel L. Graham、Kenneth L. Shepard、Paul S. Anderson、John J. Baldwin、Darryl B. Best、Marcia E. Christy、Mark B. Freedman、Pierre Gautheron、Charles N. Habecker

  DOI：10.1021/jm00132a009

  日期：1989.12

  Derivatives of benzo[b]thiophene-2-sulfonamide were prepared to investigate their potential utility as topically active inhibitors of ocular carbonic anhydrase. Such an agent would be useful in the treatment of glaucoma. Among the compounds described are 6-hydroxybenzo[b]thiophene-2-sulfonamide (16) and its acetate ester (23), which are among the most potent ocular hypotensive agents in this class, as assessed in the alpha-chymotrypsinized rabbit. These compounds were selected for clinical evaluation.