7-[3,5-dimethoxy-4-(β-D-glucopyranosyloxy)cinnamoyl]amino-3-octyloxy-4-(β-D-glucopyranosyloxy)-1-methyl-2(1H)-quinolinone

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-[3,5-dimethoxy-4-(β-D-glucopyranosyloxy)cinnamoyl]amino-3-octyloxy-4-(β-D-glucopyranosyloxy)-1-methyl-2(1H)-quinolinone
• 英文别名: (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-N-[1-methyl-3-octoxy-2-oxo-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyquinolin-7-yl]prop-2-enamide
• 化学式: C₄₁H₅₆N₂O₁₇
• 分子量: 848.899
• InChiKey: AZOXHZSYHGEKRQ-ONCVVMNZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  60
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  276
• 氢给体数：
  9
• 氢受体数：
  17

文献信息

• Quinolinone glycoside, production process, and anti-allergic agent
  申请人：DAINIPPON INK AND CHEMICALS, INC.

  公开号：EP0933378A1

  公开（公告）日：1999-08-04

  An object is to provide: novel quinolinone glycosides which are useful as medicines; processes for producing the quinolinone glycosides; intermediates for synthesis; and medicines, and particularly anti-allergic agents, which comprise the quinolinone glycoside as an active ingredient. The object is achieved by: a quinolinone glycoside or a physiologically acceptable salt thereof; processes for producing this quinolinone glycosides; intermediates for synthesis; and medicines, and particularly anti-allergic agents, which comprise the quinolinone glycoside as an active ingredient; the quinolinone glycoside being expressed by general formula (I): (wherein, in the formula, each of R1 and R2 is a hydrogen atom or a glycosyl group selected from the group consisting of a glucuronyl group, a glucosyl group, a galactosyl group and a mannosyl group, and at least one of R1 and R2 is a glycosyl group in which a hydroxyl group in the glycosyl group is unprotected or protected with an acyl group having a carbon number of 2 to 7 or a benzyl group);

  目的是提供：可用作药物的新型喹啉酮苷；生产这种喹啉酮苷的工艺；用于合成的中间体；以及包含这种喹啉酮苷作为有效成分的药物，特别是抗过敏药物。本发明的目的是通过以下方式实现的：一种喹啉酮苷或其生理上可接受的盐；生产这种喹啉酮苷的工艺；合成的中间体；以及药物，特别是抗过敏剂，其中包含喹啉酮苷作为有效成分；喹啉酮苷由通式（I）表示： (其中，R1 和 R2 各为氢原子或糖基，选自葡萄糖醛酸基、葡萄糖基、半乳糖基和甘露糖基组成的组，且 R1 和 R2 中至少有一个为糖基，其中糖基中的羟基未被保护或被碳原子数为 2-7 的酰基或苄基保护）；
• US6242425B1
  申请人：——

  公开号：US6242425B1

  公开（公告）日：2001-06-05