9-Acetoxy-6-methylellipticin | 56501-61-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 9-Acetoxy-6-methylellipticin
• 英文别名: 9-acetoxy-5,6,11-trimethyl-6H-pyrido[4,3-b]carbazole；9-acetyloxy-5,6,11-trimethyl-6H-pyrido[4,3-b]carbazole；(5,6,11-Trimethylpyrido[4,3-b]carbazol-9-yl) acetate
• CAS: 56501-61-2
• 化学式: C₂₀H₁₈N₂O₂
• 分子量: 318.375
• InChiKey: IHBVDDVGPCSYET-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [(2R,3S,4R,5R)-3,4-dibenzoyloxy-5-chlorooxolan-2-yl]methyl benzoate 、 9-Acetoxy-6-methylellipticin 生成 [(2R,3R,4S,5S)-5-(9-acetyloxy-5,6,11-trimethylpyrido[4,3-b]carbazol-2-ium-2-yl)-3,4-dibenzoyloxyoxolan-2-yl]methyl benzoate;chloride
  参考文献：
  名称：

  XONDA, TADASI;NAKANISI, TOSIXIRO

  摘要：

  DOI：

文献信息

• Ellipticine derivative and production process thereof
  申请人：SUNTORY LIMITED

  公开号：EP0173462A2

  公开（公告）日：1986-03-05

  An ellipticine derivative having the general formula: wherein R represents a hydrogen atom, a hydroxyl group, an alkoxyl group having 1 to 4 carbon atoms, or an acyloxy group having 2 to 7 carbon atoms; R2 represents an aldose residue, a deoxyaldose residue, an N-acylaminoaldose residue having a substituted acyl group with 2 to 4 carbon atoms bonded to the N atom, an aldohexuronic amide residue, and aldohexuronic acid residue, an acylated aldose residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an acylated deoxyaldose residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an acylated N-acylaminoaldose residue having an amino group substituted with an acyl group with 2 to 4carbon atoms and having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an acylated aldohexuronic amide residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an acylated aldohexuronic acid residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an acylated aldohexuronic acid ester residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 2 to 4 carbon atoms or an arylacyl group with 7 to 9 carbon atoms, an arylalkylated aldose residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an arylalkyl group with 7 to 8 carbon atoms, an arylalkylated deoxyaldose residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an alkylacyl group with 7 to 8 carbon atoms, an arylalkylated N-acylaminoaldose residue having an amino group with an acyl group with 2 to 4 carbon atoms and having, substituted for the hydrogen of the hydroxyl group of the sugar, an arylalkyl group with 7 to 8 carbon atoms, an arylalkylated aldohexuronic amide residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an arylalkyl group with 7 to 8 carbon atoms, an arylalkylated aldohexuronic acid residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an arylalkyl group with 7 to 8 carbon atoms, an arylalkylated aldohexuronic acid ester residue having, substituted for the hydrogen atom of the hydroxyl group of the sugar, an arylalkyl group with 7 to 8 carbon atoms; and R3 represents a hydrogen atom, a linear, branched, cyclic, or cyclic-linear alkyl group having 1 to 5 carbon atoms; X0 represents a pharmaceutically acceptable inorganic or organic acid anion; and the bond represented by N⊕ - R2 in the general formula (I) represents a glycoside bond between a nitrogen atom in the 2-position of the ellipticine and a carbon atom in the 1-position of the sugar. These ellipticine derivatives have a strong antineoplastic or antitumor activity and, therefore, are expected to be effective as an antineoplastic or antitumor agent.

  一种具有通式的鞣花碱衍生物： 其中 R 代表氢原子、羟基、具有 1 至 4 个碳原子的烷氧基或具有 2 至 7 个碳原子的酰氧基； R2 代表醛糖残基、脱氧醛糖残基、N-酰氨基醛糖残基（其 N 原子上键有 2 至 4 个碳原子的取代酰基）、醛缩脲酰胺残基、醛缩脲酸残基、酰化醛糖残基（其糖羟基的氢原子被取代）、一种酰化脱醛糖残基，其糖羟基的氢原子被 2 至 4 个碳原子的烷酰基或 7 至 9 个碳原子的芳酰基取代、酰化的 N-酰氨基醛糖残基，其氨基被 2 至 4 个碳原子的酰基取代，并具有 2 至 4 个碳原子的烷酰基或 7 至 9 个碳原子的芳酰基取代糖羟基的氢原子；酰化的醛缩酰胺残基，其具有一种酰化的醛缩己脲酰胺残基，其糖的羟基的氢原子被 2 至 4 个碳原子的烷酰基或 7 至 9 个碳原子的芳酰基取代、酰化醛缩醛酸酯残基，其糖羟基的氢原子被 2 至 4 个碳原子的烷基酰基或 7 至 9 个碳原子的芳基酰基取代、芳烷基化脱醛糖残基，其糖的羟基的氢原子被 7 至 8 个碳原子的烷酰基取代；芳烷基化 N-酰氨基醛糖残基，其氨基带有 2 至 4 个碳原子的酰基，并具有一种芳烷基化的醛缩脲酰胺残基，其氨基具有 2 至 4 个碳原子的酰基，并具有 7 至 8 个碳原子的芳烷基取代糖的羟基的氢原子、一种芳烷基化的醛缩脲酸酯残基，其糖的羟基的氢原子被具有 7 至 8 个碳原子的芳烷基取代；和 R3 代表氢原子、具有 1 至 5 个碳原子的直链、支链、环状或环状直链烷基； X0 代表药学上可接受的无机或有机酸阴离子；以及 通式（I）中 N⊕ - R2 所代表的键代表鞣花碱 2 位上的氮原子与糖 1 位上的碳原子之间的糖苷键。这些鞣花碱衍生物具有很强的抗肿瘤或抗肿瘤活性，因此有望成为有效的抗肿瘤或抗肿瘤药物。
• US3933827A
  申请人：——

  公开号：US3933827A

  公开（公告）日：1976-01-20
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  公开号：US4310667A

  公开（公告）日：1982-01-12
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  申请人：——

  公开号：US4483989A

  公开（公告）日：1984-11-20
• US4698423A
  申请人：——

  公开号：US4698423A

  公开（公告）日：1987-10-06