thiochroman-4-one-8-carboxylic acid | 90921-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 硫铬烷
• 英文名称: thiochroman-4-one-8-carboxylic acid
• 英文别名: 4-oxo-3,4-dihydro-2H-1-benzothiopyran-8-carboxylic acid；4-oxo-2,3-dihydrothiochromene-8-carboxylic acid
• CAS: 90921-02-1
• 化学式: C₁₀H₈O₃S
• mdl: MFCD14280255
• 分子量: 208.238
• InChiKey: HYTJTGNRMIRUOF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Heterocyclic compounds, their preparation and, pharmaceutical compositions containing them
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP0237138A1

  公开（公告）日：1987-09-16

  A heterocyclic compound selected from those of formula (1), tautomers thereof, and pharmaceutically acceptable salts and esters of formula (I) compounds and tautomers: wherein A represents an alkylene or alkenylene chain which has 1 to 4 carbon atoms and which may have a hetero atom; B, D and Y are selected independently from oxygen and sulfur atoms and NH; R' and R2 are selected independently from hydrogen and halogen atoms and C, to C5 alkyl, C, to C5 alkoxy, C, to C5 alkylthio, phenyl, nitro, hydroxyl, sulfo, imidazolyl-C2 to C5 acylamimo, amino and carboxyl groups; and R3 represents a hydrogen atom, an amino group, a C1 to C5 alkyl group which may be substituted by a carboxyl group, or a phenyl group which may be substituted by a carboxyl, a carboxy-C1 to C5 alkyl, or an imidazolyl-C, to C5 alkylamide group. These compounds, particularly when D is oxygen, are aldose reductose inhibitors useful in treatment of chronic diabetic complications.

  选自式(1)的杂环化合物、其同系物以及式(I)化合物和同系物的药学上可接受的盐和酯： 其中 A 代表具有 1 至 4 个碳原子且可能具有杂原子的亚烷基或烯基链；B、D 和 Y 独立选自氧原子、硫原子和 NH；R'和 R2 独立选自氢原子、卤素原子和 C 至 C5 烷基、C 至 C5 烷氧基、C 至 C5 硫代烷基、苯基、硝基、羟基、磺基、咪唑基-C2 至 C5 氨基酰基、氨基和羧基；R3 代表氢原子、氨基、可被羧基取代的 C1 至 C5 烷基或可被羧基、羧基-C1 至 C5 烷基或咪唑基-C1 至 C5 烷酰胺基取代的苯基。这些化合物，特别是当 D 为氧时，是醛糖还原糖抑制剂，可用于治疗慢性糖尿病并发症。
• HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT 4? RECEPTOR ANTAGONISTS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP0664805A1

  公开（公告）日：1995-08-02
• US5708174A
  申请人：——

  公开号：US5708174A

  公开（公告）日：1998-01-13
• [EN] HETEROCYCLIC -ESTERS OR -AMIDES USED AS 5-HT4 RECEPTOR ANTAGONISTS<br/>[FR] ESTERS OU AMIDES HETEROCYCLIQUES UTILISES COMME ANTAGONISTES DE RECEPTEUR DE 5-HT4
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1994008994A1

  公开（公告）日：1994-04-28

  (EN) Compounds of formula (I), wherein formula (I) consists of formulae (I-1) to (I-4), and pharmaceutically acceptable salts thereof, and the use of a compound of formula (I) or a pharmaceutically acceptable salt thereof, and their use as pharmaceuticals in the treatment of gastrointestinal disorders, cardiovascular disorders and CNS disorder.(FR) Composés de la formule (I), laquelle comprend les formules (I-1) à (I-4), leurs sels pharmaceutiquement acceptables, et l'utilisation d'un composé de la formule (I) ou d'un sel pharmaceutiquement acceptable de ce dernier. L'invention se rapporte également à leur utilisation pour le traitement de troubles gastro-intestinaux, de troubles cardiovasculaires et de troubles du système nerveux central.