(3aS,4S,7aS)-4-[(1R)-2-amino-1-[(2S,3R,4R,5R)-4-decoxy-5-(2,4-dioxopyrimidin-1-yl)-3-methoxyoxolan-2-yl]-2-oxoethoxy]-2,2-dimethyl-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide | 360772-33-4

• 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: (3aS,4S,7aS)-4-[(1R)-2-amino-1-[(2S,3R,4R,5R)-4-decoxy-5-(2,4-dioxopyrimidin-1-yl)-3-methoxyoxolan-2-yl]-2-oxoethoxy]-2,2-dimethyl-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide
• CAS: 360772-33-4
• 化学式: C₃₇H₅₇N₅O₁₂
• 分子量: 763.886
• InChiKey: VRXFGVULMWCMBZ-UQMPIFOWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  54
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  215
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (3aS,4S,7aS)-4-[(1R)-2-amino-1-[(2S,3R,4R,5R)-4-decoxy-5-(2,4-dioxopyrimidin-1-yl)-3-methoxyoxolan-2-yl]-2-oxoethoxy]-2,2-dimethyl-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide 在 Amberlyst 15 (H⁺) 作用下， 以 甲醇 为溶剂， 生成 (2S,3S,4S)-2-[(1R)-2-amino-1-[(2S,3R,4R,5R)-4-decoxy-5-(2,4-dioxopyrimidin-1-yl)-3-methoxyoxolan-2-yl]-2-oxoethoxy]-3,4-dihydroxy-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-3,4-dihydro-2H-pyran-6-carboxamide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds

  摘要：

  Acylated derivatives of capuramycin and A-500359A were synthesized and tested for antimycobacterial activity. Compound 20 having a decanoyl group showed very potent activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00597-3
• 作为产物：
  描述：

  1-碘癸烷 在 水 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (3aS,4S,7aS)-4-[(1R)-2-amino-1-[(2S,3R,4R,5R)-4-decoxy-5-(2,4-dioxopyrimidin-1-yl)-3-methoxyoxolan-2-yl]-2-oxoethoxy]-2,2-dimethyl-N-[(3S,7R)-7-methyl-2-oxoazepan-3-yl]-4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-carboxamide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds

  摘要：

  Acylated derivatives of capuramycin and A-500359A were synthesized and tested for antimycobacterial activity. Compound 20 having a decanoyl group showed very potent activity. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00597-3

文献信息

• Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds
  作者：Hitoshi Hotoda、Makiko Daigo、Miyuki Furukawa、Kazuhiro Murayama、Chikako Akiyama Hasegawa、Masakatsu Kaneko、Yasunori Muramatsu、Michiko Miyazawa Ishii、Shun-ichi Miyakoshi、Toshio Takatsu、Masatoshi Inukai、Masayo Kakuta、Tomomi Abe、Takashi Fukuoka、Yukio Utsui、Satoshi Ohya

  DOI：10.1016/s0960-894x(03)00597-3

  日期：2003.9

  Acylated derivatives of capuramycin and A-500359A were synthesized and tested for antimycobacterial activity. Compound 20 having a decanoyl group showed very potent activity. (C) 2003 Elsevier Ltd. All rights reserved.