1-hydroxy-19,30-dimethoxy-12-[2-(3-methoxy-4-triethylsilanyloxy-cyclohexyl)-1-methyl-ethyl]-9,15,17,21,23,29,35-heptamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone | 163389-48-8

• 英文名称: 1-hydroxy-19,30-dimethoxy-12-[2-(3-methoxy-4-triethylsilanyloxy-cyclohexyl)-1-methyl-ethyl]-9,15,17,21,23,29,35-heptamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone
• CAS: 163389-48-8
• 化学式: C₆₄H₁₀₉NO₁₃Si₂
• 分子量: 1156.74
• InChiKey: QYAIIUIHICBWIA-PVUFZTDNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.63
• 重原子数：
  80.0
• 可旋转键数：
  16.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  173.43
• 氢给体数：
  1.0
• 氢受体数：
  13.0

反应信息

• 作为反应物：
  描述：

  1-hydroxy-19,30-dimethoxy-12-[2-(3-methoxy-4-triethylsilanyloxy-cyclohexyl)-1-methyl-ethyl]-9,15,17,21,23,29,35-heptamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone 在 L-Selectride 作用下， 以 四氢呋喃 为溶剂， 以30%的产率得到1,14-dihydroxy-19,30-dimethoxy-12-[2-(3-methoxy-4-triethylsilanyloxy-cyclohexyl)-1-methyl-ethyl]-9,15,17,21,23,29,35-heptamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,20-tetraone
  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：

  雷帕霉素 在 2,6-二甲基吡啶 、 lithium diisopropyl amide 作用下， 以 二氯甲烷 为溶剂， 生成 1-hydroxy-19,30-dimethoxy-12-[2-(3-methoxy-4-triethylsilanyloxy-cyclohexyl)-1-methyl-ethyl]-9,15,17,21,23,29,35-heptamethyl-18-triethylsilanyloxy-11,36-dioxa-4-aza-tricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentaone
  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