ethyl 7-[(6-deoxy-5-C-methyl-4-O-methyl-3-O-(((5-methyl-3-isoxazolyl)amino)-carbonyl)-alpha-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-carboxylate

• 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: ethyl 7-[(6-deoxy-5-C-methyl-4-O-methyl-3-O-(((5-methyl-3-isoxazolyl)amino)-carbonyl)-alpha-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-carboxylate
• 英文别名: ethyl 7-[(6-deoxy-5-C-methyl-4-O-methyl-3-O-(((5-methyl-3-isoxazolyl)amino)carbonyl)-alpha-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzoyran-3-carboxylate；ethyl 4-hydroxy-7-[(2R,3R,4S,5R)-3-hydroxy-5-methoxy-6,6-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)carbamoyloxy]oxan-2-yl]oxy-8-methyl-2-oxochromene-3-carboxylate
• 化学式: C₂₆H₃₀N₂O₁₂
• 分子量: 562.53
• InChiKey: KMNZBXQKHYTJHW-LOCCHRAXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  185
• 氢给体数：
  3
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  3-氨基-5-甲基异恶唑 、 ethyl 7-[(2,3-O-carbonyl-6-deoxy-5-C-methyl-4-O-methyl-alpha-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-carboxylate 在 正丁基锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.92h， 生成 ethyl 7-[(6-deoxy-5-C-methyl-4-O-methyl-3-O-(((5-methyl-3-isoxazolyl)amino)-carbonyl)-alpha-L-lyxo-hexopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-carboxylate
  参考文献：
  名称：

  Aromatic derivatives substituted by a ribose, their method of preparation and application as medicine

  摘要：

  发明的主题是公式(I)的化合物：R1＝H, OH, 烷基，烯基或炔基可选地被取代或烷氧基，R2＝H, 卤素，R3＝H, 烷基，卤素，Rg和Rh：H, 烷基，芳基，杂环，R5＝H或O-烷基，R6＝烷基或CH2—O-烷基，R7＝H或烷基。公式(I)的化合物具有抗生素性质。

  公开号：

  US06350733B1

文献信息

• New aromatic derivatives substituted by a ribose, their preparation process and their use as medicaments
  申请人：Aventis Pharma S.A.

  公开号：US20020010322A1

  公开（公告）日：2002-01-24

  A subject of the invention is the compounds of formula (I): 1 R 1 =H, OH, alkyl, alkenyl or alkynyl optionally substituted or alkoxy, R 2 =H, Hal, R 3 =H, alkyl, Hal, 2 , Rg and Rh: H, alkyl, aryl heterocycle, R 5 =H or O-alkyl, R 6 =alkyl or CH 2 —O-alkyl, R 7 =H or alkyl. The compounds of formula (I) have antibiotic properties.

  本发明的主题是公式(I)的化合物：1R1 = H，OH，烷基，烯基或炔基，可以取代或取代基为烷氧基；R2 = H，Hal；R3 = H，烷基，Hal，2，Rg和Rh：H，烷基，芳香族杂环；R5 = H或O-烷基；R6 = 烷基或CH2-O-烷基；R7 = H或烷基。公式(I)的化合物具有抗生素特性。
• US6812331B2
  申请人：——

  公开号：US6812331B2

  公开（公告）日：2004-11-02
• Aromatic derivatives substituted by a ribose, their method of preparation and application as medicine
  申请人：Aventis Pharma S.A.

  公开号：US06350733B1

  公开（公告）日：2002-02-26

  A subject of the invention is the compounds of formula (I): R1=H, OH, alkyl, alkenyl or alkynyl optionally substituted or alkoxy, R2=H, Hal, R3=H, alkyl, Hal, Rg and Rh: H, alkyl, aryl heterocycle, R5=H or O-alkyl, R6=alkyl or CH2—O-alkyl, R7=H or alkyl. The compounds of formula (I) have antibiotic properties.

  发明的主题是公式(I)的化合物：R1＝H, OH, 烷基，烯基或炔基可选地被取代或烷氧基，R2＝H, 卤素，R3＝H, 烷基，卤素，Rg和Rh：H, 烷基，芳基，杂环，R5＝H或O-烷基，R6＝烷基或CH2—O-烷基，R7＝H或烷基。公式(I)的化合物具有抗生素性质。