1-Benzopyrylium, 2-hydroxy-, bisulfate salt | 77902-86-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 1-Benzopyrylium, 2-hydroxy-, bisulfate salt
• 英文别名: chromen-2-one;sulfuric acid
• CAS: 77902-86-4
• 化学式: C9H8O6S
• 分子量: 244.22
• InChiKey: QXZPQBBNKOEEPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.14
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Compound
  申请人：Reed John Michael

  公开号：US20050154050A1

  公开（公告）日：2005-07-14

  A compound is described. In particular, a non-steroidal sulphamate compound is described. The compound is suitable for use as an inhibitor of oestrone sulphatase. The compound is of general Formula (A), wherein R 1 -R 6 are independently selected from H, halo, hydroxy, sulphamate, alkyl and substituted variants or salts thereof; but wherein at least one of R 1 -R 6 is a sulphamate group; and wherein X is any one of S, NH, a substituted N, CH 2 , or a substituted C.

  描述了一种化合物。具体地，描述了一种非甾体磺酸酯化合物。该化合物适用于用作雌二醇磺酸酶的抑制剂。该化合物具有通用的A式，其中R1-R6独立选择自H、卤素、羟基、磺酸酯、烷基和其取代物或盐；但是其中至少一个R1-R6是磺酸酯基；且X是S、NH、取代N、CH2或取代C中的任意一种。
• Non-steroidal polycyclic ring sulphamate derivatives, their preparation and their use as oestrone sulphatase inhibitors
  申请人：Sterix Limited

  公开号：EP1577308A2

  公开（公告）日：2005-09-21

  A compound is described. In particular, a non-steroidal sulphamate compound is described. The compound is suitable for use as an inhibitor of oestrone sulphatase. The compound has a polycyclic ring structure comprising two or more rings wherein at least two of the rings mimic the A and B rings of oestrone.

  本文描述了一种化合物。特别是描述了一种非甾体氨基磺酸盐化合物。该化合物适合用作雌酮硫酸酯酶的抑制剂。该化合物具有多环结构，包括两个或两个以上的环，其中至少有两个环模仿雌酮的 A 环和 B 环。
• Steroid sulphatase inhibitors
  申请人：STERIX LIMITED

  公开号：US20010018435A1

  公开（公告）日：2001-08-30

  A method of inhibiting steroid sulphatase activity in a subject in need of same is described. The method comprises administering to said subject a steroid sulphatase inhibiting amount of a ring system compound; which ring system compound comprises a ring to which is attached a sulphamate group of the formula 1 wherein each of R 1 and R 2 is independently selected from H, alkyl, alkenyl, cycloalkyl and aryl, or together represent allylene optionally containing one or more hetero atoms or groups in the alkylene chain; and wherein said compound is an inhibitor of an enzyme having steroid suiphatase activity (E.C.3.1.6.2); and if the sulphamate group of said compound is replaced with a sulphate group to form a sulphate compound and incubated with a steroid sulphatase enzyme (E.C.3.1.6.2) at a pH 7.4 and 37° C. it would provide a K m value of less tha 50 &mgr;M.

  本发明描述了一种在有需要的受试者体内抑制类固醇硫酸酯酶活性的方法。该方法包括向所述受试者施用抑制类固醇硫酸酯酶量的环状系统化合物；该环状系统化合物包括一个环，在该环上连接有式 1 所示的氨基磺酸基团。 1 其中每个 R 1 和 R 2 独立地选自 H、烷基、烯基、环烷基和芳基，或共同代表在亚烷基链中可选地含有一个或多个杂原子或基团的烯丙基；其中所述化合物是具有类固醇胰脂肪酶活性的酶的抑制剂（E.C.3.1.6.2）的抑制剂；如果将所述化合物的氨基磺酸盐基团替换为硫酸盐基团以形成硫酸盐化合物，并与类固醇硫酸酯酶（E.C.3.1.6.2）在 pH 值为 7.4 和 37° C 的条件下培养，则其 K m 值小于 50 &mgr;M。
• NON-STEROIDAL POLYCYCLIC RING SULPHAMATE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS OESTRONE SULPHATASE INHIBITORS
  申请人：IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY & MEDICINE

  公开号：EP0880514A1

  公开（公告）日：1998-12-02
• US6011024A
  申请人：——

  公开号：US6011024A

  公开（公告）日：2000-01-04