(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-[2-[2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-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-12-yl]propyl]-2-methoxycyclohexyl]oxyethoxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-5-oxopentanoic acid | 1096168-99-8

• 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: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-[2-[2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-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-12-yl]propyl]-2-methoxycyclohexyl]oxyethoxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-5-oxopentanoic acid
• CAS: 1096168-99-8
• 化学式: C₁₂₁H₁₈₃N₁₇O₅₀S₂
• 分子量: 2740.0
• InChiKey: BLIBSFBLHJOQDW-RXKWSXBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -8.4
• 重原子数：
  190
• 可旋转键数：
  72
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  1120
• 氢给体数：
  34
• 氢受体数：
  56

反应信息

• 作为产物：
  描述：

  Pte-γGlu-(Glu(1-amino-1-deoxy-D-glucitol)-Glu)2-Glu(1-amino-1-deoxy-D-glucitol)-Cys-OH 、 everolimus (2'-pyridyldisulfanyl)ethyl carbonate 在 N,N-二异丙基乙胺 作用下， 以 二甲基亚砜 为溶剂， 生成 (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-5-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1R)-1-carboxy-2-[2-[2-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-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-12-yl]propyl]-2-methoxycyclohexyl]oxyethoxycarbonyloxy]ethyldisulfanyl]ethyl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxo-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]pentan-2-yl]amino]-5-oxopentanoic acid
  参考文献：
  名称：

  [EN] VITAMIN RECEPTOR DRUG DELIVERY CONJUGATES FOR TREATING INFLAMMATION
  [FR] CONJUGUÉS DE RÉCEPTEURS DE VITAMINE POUR ADMINISTRATION PHARMACOLOGIQUE UTILISÉS DANS LE TRAITEMENT DE L'INFLAMMATION

  摘要：

  本文描述了用于靶向药物传递的组合物、方法、化合物、共轭物和试剂盒，其中包含亲水性间隔连接物的药物传递共轭物，用于治疗由病原细胞群体（如炎性细胞）引起的疾病状态。

  公开号：

  WO2011079227A1

文献信息

• FOLATE CONJUGATES FOR TREATING INFLAMMATION OF THE EYE
  申请人：Leamon Christopher Paul

  公开号：US20130203680A1

  公开（公告）日：2013-08-08

  The present invention relates to methods of use of folate conjugates for treating inflammatory diseases of the eye, to folate conjugates for use in treating inflammatory diseases of the eye, and to folate conjugates for use in the manufacture of a medicament for treating inflammatory diseases of the eye. More particularly, the invention is directed to the use of folate linked to one or more anti-inflammatory agents for each of the above-described uses.

  本发明涉及使用叶酸共轭物治疗眼部炎症疾病的方法，用于治疗眼部炎症疾病的叶酸共轭物，以及用于制造用于治疗眼部炎症疾病的药物的叶酸共轭物。更具体地，本发明针对上述用途中的每一种，使用叶酸与一个或多个抗炎药物相连的方法。
• VITAMIN RECEPTOR DRUG DELIVERY CONJUGATES FOR TREATING INFLAMMATION
  申请人：Endocyte, Inc.

  公开号：US20150314015A1

  公开（公告）日：2015-11-05

  Described herein are compositions, methods, compounds, conjugates, and kits for use in targeted drug delivery using drug delivery conjugates containing hydrophilic spacer linkers for use in treating disease states caused by pathogenic cell populations, such as inflammatory cells.

  本文描述了用于靶向药物传递的组合物、方法、化合物、共轭物和试剂盒，其中包含亲水性空间连接剂的药物传递共轭物，用于治疗由病原细胞群引起的疾病状态，例如炎症细胞。
• [EN] VITAMIN RECEPTOR DRUG DELIVERY CONJUGATES FOR TREATING INFLAMMATION<br/>[FR] CONJUGUÉS DE RÉCEPTEURS DE VITAMINE POUR ADMINISTRATION PHARMACOLOGIQUE UTILISÉS DANS LE TRAITEMENT DE L'INFLAMMATION
  申请人：ENDOCYTE INC

  公开号：WO2011079227A1

  公开（公告）日：2011-06-30

  Described herein are compositions, methods, compounds, conjugates, and kits for use in targeted drug delivery using drug delivery conjugates containing hydrophilic spacer linkers for use in treating disease states caused by pathogenic cell populations, such as inflammatory cells.

  本文描述了用于靶向药物传递的组合物、方法、化合物、共轭物和试剂盒，其中包含亲水性间隔连接物的药物传递共轭物，用于治疗由病原细胞群体（如炎性细胞）引起的疾病状态。