2,3-Dihydro-I+/--oxobenzo[b]thiophene-5-acetic acid | 79002-50-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2,3-Dihydro-I+/--oxobenzo[b]thiophene-5-acetic acid
• 英文别名: 2-(2,3-dihydro-1-benzothiophen-5-yl)-2-oxoacetic acid
• CAS: 79002-50-9
• 化学式: C₁₀H₈O₃S
• 分子量: 208.24
• InChiKey: FRSXBDARBZLXBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  2
• 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

• Bicyclic keto- and amino- acids, esters and amides and pharmaceutical compositions thereof
  申请人：Pfizer Limited

  公开号：EP0026593A1

  公开（公告）日：1981-04-08

  Compoundsoftheformula: wherein R is COCO2R2, CH(NH2)CO2R2 or CH(NH2)CONHR3, the compounds in which R is CH(NH2)CO2R2 or CH(NH2)CONHR3 being present in the L or DL (racemic) form; R1 is hydrogen, lower alkyl or phenyl; said phenyl being optionally substituted with one or more hydroxy, lower alkoxy or lower alkyl groups or halogen atoms; R2 is hydrogen or lower alkyl; R3 is hydrogen, lower alkyl, lower alkoxy-lower alkyl, or benzyl said benzyl group being optionally substituted in the phenyl ring with one or more hydroxy, lower alkoxy or lower alkyk groups or halogen atoms; X is oxygen or sulphur; n is 0 or 1; the dotted line represents an optional double bond; and pharmaceutically acceptable salts thereof are useful in treating diseases and medical conditions, which are characterised by reduced blood flow, reduced oxygen availability or reduced carbohydrate metabolism in the cardiovascular system of the subject, such as angina pectoris orcardiacfailure, and in diabetes.

  式的化合物： 其中 R 为 COCO2R2、CH(NH2)CO2R2 或 CH(NH2)CONHR3，R 为 CH(NH2)CO2R2 或 CH(NH2)CONHR3 的化合物以 L 或 DL（外消旋）形式存在；R1 为氢、低级烷基或苯基；所述苯基可任选被一个或多个羟基、低级烷氧基或低级烷基或卤素原子取代；R2 是氢或低级烷基； R3 是氢、低级烷基、低级烷氧基-低级烷基或苄基，所述苄基可选择在苯基环上被一个或多个羟基、低级烷氧基或低级烷基或卤素原子取代；X是氧或硫；n是0或1；虚线代表任选的双键；其药学上可接受的盐类可用于治疗以血流量减少、氧气供应减少或受试者心血管系统碳水化合物代谢减少为特征的疾病和病症，如心绞痛或心力衰竭以及糖尿病。
• US4341792A
  申请人：——

  公开号：US4341792A

  公开（公告）日：1982-07-27