sodium;3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: sodium;3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propane-1-sulfonate
• 化学式: C10H10NNaO6S2
• 分子量: 327.3
• InChiKey: KQESUUZXLBJROK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.23
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• Compositions and methods for treating amyloidosis
  申请人：Queen's University at Kingston

  公开号：US20040198832A1

  公开（公告）日：2004-10-07

  Therapeutic compounds and methods for modulating amyloid aggregation in a subject, whatever its clinical setting, are described. Amyloid aggregation is modulated by the administration to a subject of an effective amount of a therapeutic compound of the formula 1 or a pharmaceutically acceptable salt or ester, such that modulation of amyloid aggregation occurs. R 1 and R 2 are each independently a hydrogen atom or a substituted or unsubstituted aliphatic or aryl group. Z and Q are each independently a carbonyl (C═O), thiocarbonyl (C═S), sulfonyl (SO 2 ), or sulfoxide (S═O) group. “k” and “m” are 0 or 1, provided when k is 1, R 1 is not a hydrogen atom, and when m is 1, R 2 is not a hydrogen atom. In an embodiment, at least one of k or m must equal 1. “p” and “s” are each independently positive integers selected such that the biodistribution of the therapeutic compound for an intended target site is not prevented while maintaining activity of the therapeutic compound. T is a linking group and Y is a group of the formula -A X wherein A is an anionic group at physiological pH, and X is a cationic group.

  本文描述了用于调节淀粉样蛋白聚集的治疗化合物和方法，无论其临床设置如何。通过向受试者施用公式1的治疗化合物的有效量或其药学上可接受的盐或酯，从而调节淀粉样蛋白聚集。其中，R1和R2分别独立地为氢原子或取代或未取代的脂肪族或芳香族基团。Z和Q分别独立地为羰基（C═O）、硫代羰基（C═S）、磺酰基（SO2）或亚磺酸基（S═O）基团。“k”和“m”为0或1，当k为1时，R1不是氢原子，当m为1时，R2不是氢原子。在一种实施方式中，k或m中至少有一个必须等于1。“p”和“s”分别是正整数，选取这些正整数使治疗化合物的生物分布不会阻止预期的靶位点，并保持治疗化合物的活性。T是连接基团，Y是公式-A X的基团，其中A是生理pH下的阴离子基团，X是阳离子基团。
• COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES
  申请人：QUEEN'S UNIVERSITY AT KINGSTON

  公开号：EP1276483A2

  公开（公告）日：2003-01-22
• [EN] COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS<br/>[FR] COMPOSITIONS ET PROCEDES POUR TRAITER L'AMYLOSE
  申请人：UNIV KINGSTON

  公开号：WO2000064420A2

  公开（公告）日：2000-11-02

  Therapeutic compounds and methods for modulating amyloid aggregation in a subject, whatever its clinical setting, are described. Amyloid aggregation is modulated by the administration to a subject of an effective amount of a therapeutic compound of formula (1) or a pharmaceutically acceptable salt or ester, such that modulation of amyloid aggregation occurs. R?1 and R2¿ are each independently a hydrogen atom or a substituted or unsubstituted aliphatic or aryl group. Z and Q are each independently a carbonyl (C=O), thiocarbonyl (C=S), sulfonyl (SO¿2?), or sulfoxide (S=O) group. 'k' and 'm' are 0 or 1, provided when k is 1, R?1¿ is not a hydrogen atom, and when m is 1, R2 is not a hydrogen atom. In an embodiment, at least one of k or m must equal 1. 'p' and 's' are each independently positive integers selected such that the biodistribution of the therapeutic compound for an intended target site is not prevented while maintaining activity of the therapeutic compound. T is a linking group and Y is a group of the formula: -A X, wherein A is an anionic group at physiological pH, and X is a cationic group.