(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-18-[tert-butyl(dimethyl)silyl]oxy-12-[(2R)-1-[(1S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone | 156472-71-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺
• 英文名称: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-18-[tert-butyl(dimethyl)silyl]oxy-12-[(2R)-1-[(1S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
• CAS: 156472-71-8
• 化学式: C₆₃H₁₀₇NO₁₃Si₂
• 分子量: 1142.71
• InChiKey: NFVOIGOOLNQIKQ-SAPDXNMMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.24
• 重原子数：
  79
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  173
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-18-[tert-butyl(dimethyl)silyl]oxy-12-[(2R)-1-[(1S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 在 L-Selectride 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Manipulation of the C(22)-C(27) region of rapamycin: Stability issues and biological implications

  摘要：

  A novel series of rapamycin derivatives with modifications in the C(22)-C(27) region has been prepared. These compounds are evaluated for their ability to prevent ring fragmentation while still retaining immunosuppressive capabilities. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00735-5
• 作为产物：
  描述：

  叔丁基二甲硅基三氟甲磺酸酯 、 雷帕霉素 在 2,6-二甲基吡啶 作用下， 以 二氯甲烷 为溶剂， 以75%的产率得到(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-18-[tert-butyl(dimethyl)silyl]oxy-12-[(2R)-1-[(1S,3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxycyclohexyl]propan-2-yl]-1-hydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
  参考文献：
  名称：

  Manipulation of the C(22)-C(27) region of rapamycin: Stability issues and biological implications

  摘要：

  A novel series of rapamycin derivatives with modifications in the C(22)-C(27) region has been prepared. These compounds are evaluated for their ability to prevent ring fragmentation while still retaining immunosuppressive capabilities. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00735-5

文献信息

• Manipulation of the C(22)-C(27) region of rapamycin: Stability issues and biological implications
  作者：Frances C. Nelson、Shawn J. Stachel、C.P. Eng、Suren N. Sehgal

  DOI：10.1016/s0960-894x(98)00735-5

  日期：1999.1

  A novel series of rapamycin derivatives with modifications in the C(22)-C(27) region has been prepared. These compounds are evaluated for their ability to prevent ring fragmentation while still retaining immunosuppressive capabilities. (C) 1999 Elsevier Science Ltd. All rights reserved.