(1-thioxo-3,4,6,7,8,9-hexahydro-1H-2-oxa-11-azabenzo[b]fluoren-11-yl) acetic acid tert-butyl ester | 1161934-30-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1-thioxo-3,4,6,7,8,9-hexahydro-1H-2-oxa-11-azabenzo[b]fluoren-11-yl) acetic acid tert-butyl ester
• 英文别名: Tert-butyl 2-(15-sulfanylidene-14-oxa-17-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16)-tetraen-17-yl)acetate
• CAS: 1161934-30-0
• 化学式: C₂₁H₂₅NO₃S
• 分子量: 371.5
• InChiKey: AIXCEERQQNRKFT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  72.6
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• FUSED TRICYCLIC COMPOUND HAVING ALDOSE REDUCTASE INHIBITORY ACTIVITY
  申请人：National University Corporation University Of Toyama

  公开号：EP2179999A1

  公开（公告）日：2010-04-28

  A fused tricyclic compound having aldose reductase inhibitory activity and shown by the following formula, wherein R1 independently represents 1 to 3 atoms or substituents selected from a hydrogen atom, a halogen atom, a substituted or unsubstituted alkyl, cycloalkyl, alkylene, or alkoxy group, and a protected or unprotected hydroxyl or carboxyl group, R2 represents a protected or unprotected carboxyl group, R3 independently represents 1 or 2 atoms or substituents selected from a hydrogen atom, a halogen atom, an oxo group, a substituted or unsubstituted alkyl or alkoxy group, and a protected or unprotected carboxyl group, A represents an alkylene group, and B represents an oxygen atom, a sulfur atom, or a group shown by the following formula, wherein R4 represents an alkyl or aryl group substituted with an aryl, cycloalkyl, or heterocyclic group, and X represents an oxygen atom or a sulfur atom.

  一种具有醛糖还原酶抑制活性的融合三环化合物，如下式所示、 其中 R1 独立地代表 1 至 3 个原子或取代基，它们选自氢原子、卤素原子、取代或未取代的烷基、环烷基、亚烷基或烷氧基，以及受保护或未受保护的羟基或羧基；R2 代表受保护或未受保护的羧基、A 代表亚烷基，B 代表氧原子、硫原子或下式所示的基团、 其中 R4 代表被芳基、环烷基或杂环基取代的烷基或芳基，X 代表氧原子或硫原子。