2-[4-(Methylsulfanyl)phenoxy]benzene-1,4-dicarboxylic acid | 89216-67-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[4-(Methylsulfanyl)phenoxy]benzene-1,4-dicarboxylic acid
• 英文别名: 2-(4-methylsulfanylphenoxy)terephthalic acid
• CAS: 89216-67-1
• 化学式: C₁₅H₁₂O₅S
• 分子量: 304.3
• InChiKey: DZVHRHWUPNPSND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Tricyclic compounds, preparation, use and intermediates
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0093381A1

  公开（公告）日：1983-11-09

  Tricyclic compounds of formula (I) wherein X' is a carboxyl or 5-tetrazolyl group X2 is carbonyl or methylene X3 is hydroxyl or a group -X4(CnH2n)X5 where X4 is oxygen or sulphur X6 is hydrogen or a group -OX6 where X6 is hydrogen, alkanoyl of 1 to 4 carbon atoms or a group -(CmH2m)X7 where X7 is hydrogen or a group -OX8 where X8 is hydrogen or alkanoyl of 1 to 4 carbon atoms and m and n are each, independently, an integer from 1 to 4, together with salts thereof, provided that when X5 is a group -OX6 then n is always greater than 1 and X4 and X5 are attached to different carbon atoms and that when X7 is a group -OX8 then m is always greater than 1 and no single carbon atom in the radical -(CmH2m)-is attached to two oxygen atoms. These compounds are of value in medicine in circumstances where it is desirable to provide a more effective delivery of oxygen to the tissues; in vivo applications include the relief or amelioration of tissue hypoxia as in, for example, cardiac or cerebral ischaemia while in vitro they maintain the oxygen-delivery capacity of stored red blood cells and prolong the cells' useful storage life. The invention is also directed to methods for the preparation of the compounds, to pharmaceutical formulations and other presentation forms containing them and the preparation thereof, to the use of the compounds in medicine, and to novel intermediates for the said compounds and the preparation thereof.

  式 (I) 的三环化合物 其中 X' 是羧基或 5-四唑基 X2 是羰基或亚甲基 X3 是羟基或基团 -X4(CnH2n)X5 其中 X4 是氧或硫 X6 是氢或基团 -OX6 其中 X6 是氢、1 至 4 个碳原子的烷酰基或基团-(CmH2m)X7 其中 X7 是氢或基团 -OX8 其中 X8 是氢或 1 至 4 个碳原子的烷酰基，m 和 n 各自独立地为 1 至 4 的整数，以及它们的盐、 条件是当 X5 为基团-OX6 时，n 始终大于 1，且 X4 和 X5 连接在不同的碳原子上 当 X7 为基团-OX8 时，m 始终大于 1，且自由基-(CmH2m)-中没有单个碳原子与两个氧原子相连。 这些化合物在医学上的应用价值在于，可以更有效地向组织输送氧气；在体内的应用包括缓解或改善组织缺氧，如心肌或脑缺血，而在体外的应用则是保持储存的红细胞的氧气输送能力，延长细胞的有效储存寿命。 本发明还涉及这些化合物的制备方法、含有这些化合物的药物制剂和其他呈现形式及其制备方法、这些化合物在医学中的用途，以及上述化合物的新型中间体及其制备方法。
• US4902701A
  申请人：——

  公开号：US4902701A

  公开（公告）日：1990-02-20