1,1-Dioxido-2-(4-(4-(4-methyl-2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶唑类
• 英文名称: 1,1-Dioxido-2-(4-(4-(4-methyl-2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
• 英文别名: 4-Methyl-3-[1-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
• 化学式: C₂₄H₂₇N₃O₅S
• 分子量: 469.561
• InChiKey: JOAYDGACBFIMIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  95.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氨基-3-甲基苯酚 在 盐酸 、 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1,1-Dioxido-2-(4-(4-(4-methyl-2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-1,2-benzisothiazol-3(2H)-one
  参考文献：
  名称：

  Design and synthesis of N-alkylated saccharins as selective α-1a adrenergic receptor antagonists

  摘要：

  Benign prostatic hyperplasia can be managed pharmacologically with alpha-1 adrenergic receptor antagonists. Agents that demonstrate selectivity for the alpha-1a receptor subtype may offer advantages in clinical applications with respect to hypotensive side effects. The N-alkylated saccharins reported here represent a new class of subtype selective alpha-1a adrenergic receptor antagonists which demonstrate potent effects on prostate function in vivo and are devoid of blood pressure side effects. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00446-6

文献信息

• US5760054A
  申请人：——

  公开号：US5760054A

  公开（公告）日：1998-06-02
• Design and synthesis of N-alkylated saccharins as selective α-1a adrenergic receptor antagonists
  作者：Jennie B. Nerenberg、Jill M. Erb、Wayne J. Thompson、Hee-Yoon Lee、James P. Guare、Peter M. Munson、Jeffrey M. Bergman、Joel R. Huff、Theodore P. Broten、Raymond S.L. Chang、Tsing B. Chen、Stacey O'Malley、Terry W. Schorn、Ann L. Scott

  DOI：10.1016/s0960-894x(98)00446-6

  日期：1998.9

  Benign prostatic hyperplasia can be managed pharmacologically with alpha-1 adrenergic receptor antagonists. Agents that demonstrate selectivity for the alpha-1a receptor subtype may offer advantages in clinical applications with respect to hypotensive side effects. The N-alkylated saccharins reported here represent a new class of subtype selective alpha-1a adrenergic receptor antagonists which demonstrate potent effects on prostate function in vivo and are devoid of blood pressure side effects. (C) 1998 Elsevier Science Ltd. All rights reserved.