(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-11-[[(1R,2S,4R,6R)-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-1-oxa-6-azacyclopentadecan-15-one | 586411-10-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-11-[[(1R,2S,4R,6R)-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-1-oxa-6-azacyclopentadecan-15-one
• CAS: 586411-10-1
• 化学式: C₃₆H₆₅NO₁₂
• 分子量: 703.912
• InChiKey: ULUSIXKKMDGEKF-FRJSPTQISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  49
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  169
• 氢给体数：
  4
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-11-[[(1R,2S,4R,6R)-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-1-oxa-6-azacyclopentadecan-15-one 在 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 异丙醇 为溶剂， 反应 0.5h， 生成 2-cyano-N-(4-(((2S,3R,4S,6R)-2-(((2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-(((2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-4-yl)(methyl)amino)butyl)-N-methylacetamide
  参考文献：
  名称：

  TARGETED MODULATORS OF JAK3 FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES

  摘要：

  JAK3 inhibitors are described that contain a combination of 2 or more of the following moieties: a cyano-containing Michael acceptor, a l,6-dihydroimidazo[4,5-d]pyrrolo[2,3- b]pyridin, and a targeting factor to increase myeloid cell uptake and exposure.

  公开号：

  WO2023248010A2
• 作为产物：
  描述：

  阿奇霉素 在 环氧氯丙烷 作用下， 生成 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-11-[[(1R,2S,4R,6R)-4-methyl-3,7-dioxabicyclo[4.1.0]heptan-2-yl]oxy]-1-oxa-6-azacyclopentadecan-15-one
  参考文献：
  名称：

  WO2007/12464

  摘要：

  公开号：

文献信息

• Conjugates of biologically active compounds, methods for their preparation and use, formulation and pharmaceutical applications thereof
  申请人：Burnet Michael

  公开号：US20090093014A1

  公开（公告）日：2009-04-09

  This invention features a method of identifying a compound useful for enhancing efficacy of a therapeutic agent. The method includes incubating a compound in blood cells; separating immune cells from erythrocytic cells; and determining the ratio of the concentration of the compound in the immune cells to the concentration of the compound in the erythrocytic cells; wherein the compound comprises a transportophore and a therapeutic agent, in which the transportophore is covalently bonded to the therapeutic agent via a bond or a linker.

  这项发明涉及一种用于增强治疗剂效的化合物鉴定方法。该方法包括将化合物孵育在血细胞中；将免疫细胞与红细胞分离；并确定免疫细胞中化合物浓度与红细胞中化合物浓度之比；其中，该化合物包括一个运载体和一个治疗剂，其中运载体通过键合或连接物与治疗剂共价结合。
• MACROLIDE CONJUGATES OF PYRROLIZINE AND INDOLIZINE COMPOUNDS AS INHIBITORS OF 5-LIPOOXYGENASE AND CYCLOOXYGENASE
  申请人：Laufer Stefan

  公开号：US20090221697A1

  公开（公告）日：2009-09-03

  The present invention relates to macrolide conjugates of pyrrolizine and indolizine derivatives with macrocyclic antibiotics and derivatives thereof. The macrolide conjugates are potent inhibitors of 5-lipoxygenase and cyclooxygenase and are therefore suitable to treat disorders of the rheumatic type and to prevent allergically induced diseases. The macrolide conjugates have significantly enhanced potency and efficacy.
• US7579324B2
  申请人：——

  公开号：US7579324B2

  公开（公告）日：2009-08-25
• US8357506B2
  申请人：——

  公开号：US8357506B2

  公开（公告）日：2013-01-22
• WO2007/12464
  申请人：——

  公开号：——

  公开（公告）日：——