[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 2-(pyridin-2-yldisulfanyl)ethyl carbonate | 1048378-93-3

• 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)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 2-(pyridin-2-yldisulfanyl)ethyl carbonate
• CAS: 1048378-93-3
• 化学式: C₅₉H₈₆N₂O₁₅S₂
• 分子量: 1127.47
• InChiKey: MYQYNBKXCWPEPD-RCACELHOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  78
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  274
• 氢给体数：
  2
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  pteroyl-γ-Glu-Asp-Arg-Asp-Asp-Cys 、 [(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 2-(pyridin-2-yldisulfanyl)ethyl carbonate 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 以60%的产率得到EC0371
  参考文献：
  名称：

  WO2008/101231

  摘要：

  公开号：
• 作为产物：
  描述：

  1H-benzo[d][1,2,3]triazol-1-yl 2-(pyridin-2-yldisulfanyl)ethyl carbonate 、 雷帕霉素 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 以70%的产率得到[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1-hydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-2,3,10,14,20-pentaoxo-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraen-18-yl] 2-(pyridin-2-yldisulfanyl)ethyl carbonate
  参考文献：
  名称：

  WO2008/101231

  摘要：

  公开号：

文献信息

• METHODS AND COMPOSITIONS FOR TREATING AND DIAGNOSING KIDNEY DISEASE
  申请人：Leamon Christopher Paul

  公开号：US20100104626A1

  公开（公告）日：2010-04-29

  The invention relates to a method for diagnosing a kidney disease state. The method comprises the steps of administering to a patient a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises a diagnostic marker, and diagnosing the kidney disease state. The invention also relates to a method for treating a kidney disease state. The method comprises the steps of administering to a patient suffering from the disease state an effective amount of a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises an antigen, a cytotoxin, or a cell growth inhibitor, and eliminating the disease state.
• Methods and Compositions for Treating and Diagnosing Kidney Disease
  申请人：Leamon Christopher Paul

  公开号：US20120270791A1

  公开（公告）日：2012-10-25

  The invention relates to a method for diagnosing a kidney disease state. The method comprises the steps of administering to a patient a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises a diagnostic marker, and diagnosing the kidney disease state. The invention also relates to a method for treating a kidney disease state. The method comprises the steps of administering to a patient suffering from the disease state an effective amount of a composition comprising a conjugate or complex of the general formula V-L-D where the group V comprises a vitamin receptor binding ligand that binds to kidney proximal tubule cells and the group D comprises an antigen, a cytotoxin, or a cell growth inhibitor, and eliminating the disease state.
• US8765096B2
  申请人：——

  公开号：US8765096B2

  公开（公告）日：2014-07-01