(2R,3R,4S,5S,6S)-2-(acetoxymethyl)-6-(((((((2R,3S,4R,5R)-5-(6-amino-9H-dihydroxytetrahydrofuran-2-purin-9-yl)-3,4-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate | 888701-17-5

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷酸
• 英文名称: (2R,3R,4S,5S,6S)-2-(acetoxymethyl)-6-(((((((2R,3S,4R,5R)-5-(6-amino-9H-dihydroxytetrahydrofuran-2-purin-9-yl)-3,4-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• 英文别名: [(2R,3R,4S,5S,6S)-3,4,5-triacetyloxy-6-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyoxan-2-yl]methyl acetate
• CAS: 888701-17-5
• 化学式: C₂₄H₃₃N₅O₁₉P₂
• 分子量: 757.496
• InChiKey: IKMCNUXMVYYHLZ-RQHVOIMZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.5
• 重原子数：
  50
• 可旋转键数：
  17
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  336
• 氢给体数：
  5
• 氢受体数：
  23

反应信息

• 作为反应物：
  描述：

  (2R,3R,4S,5S,6S)-2-(acetoxymethyl)-6-(((((((2R,3S,4R,5R)-5-(6-amino-9H-dihydroxytetrahydrofuran-2-purin-9-yl)-3,4-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate 在 ammonium acetate 、 triethylammonium bicarbonate buffer 、 三乙胺 作用下， 以 溶剂黄146 、 甲醇 、 水 为溶剂， 反应 336.0h， 生成 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate
  参考文献：
  名称：

  EP2017281

  摘要：

  公开号：
• 作为产物：
  描述：

  tetra-O-acetyl-D-mannopyranosly-β-phosphoric acid 在 吡啶 、 四氮唑 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 (2R,3R,4S,5S,6S)-2-(acetoxymethyl)-6-(((((((2R,3S,4R,5R)-5-(6-amino-9H-dihydroxytetrahydrofuran-2-purin-9-yl)-3,4-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1
  [FR] COMPOSITIONS ET PROCÉDÉS DE MODULATION DE LA RÉPONSE IMMUNITAIRE PAR ACTIVATION DE LA PROTÉINE KINASE ALPHA 1

  摘要：

  该披露提供了与激活α-激酶1（ALPK1）相关的组合物和方法，用于调节免疫应答，治疗或预防癌症、感染、炎症和相关疾病和疾病，以及增强对靶抗原的免疫应答。该披露还提供了式（I）的杂环化合物作为α蛋白激酶1（ALPK1）的激动剂，并其在激活ALPK1、调节免疫应答和治疗癌症等疾病中的应用，其中A1、A2、L1、L2、L3、Z1、Z2、W1、W2、R1、R2、R3、R4、R5、R6和R7在此定义。

  公开号：

  WO2019080898A1

文献信息

• TOLL-LIKE RECEPTOR 9 AGONISTS
  申请人：Nagata Hiroyuki

  公开号：US20100016250A1

  公开（公告）日：2010-01-21

  The present invention provides TLR9 agonists comprising, as an active ingredient, a compound represented by formula (I): (wherein a represents 0 or 1; n represents an integer of 0 to 2; m represents an integer of 0 to 5; X 1 and X 2 each independently represent a hydrogen atom or hydroxy; Y represents an oxygen atom or a sulfur atom; -Q 1 -represents —O— or the like; -Q 2 - represents —O— or the like; -Z- represents —O— or the like; R 1 , R 3 and R 4 each independently represent hydroxy or the like; R 2 and R 5 each independently represent a hydrogen atom, hydroxy or the like; and A represents 6-aminopurin-9-yl or the like) or a pharmaceutically acceptable salt thereof, and the like.

  本发明提供了TLR9激动剂，其包含以下化合物作为活性成分，该化合物由式(I)表示：（其中a表示0或1；n表示0到2的整数；m表示0到5的整数；X1和X2各自独立地表示氢原子或羟基；Y表示氧原子或硫原子；-Q1-表示-O-或类似物；-Q2-表示-O-或类似物；-Z-表示-O-或类似物；R1、R3和R4各自独立地表示羟基或类似物；R2和R5各自独立地表示氢原子、羟基或类似物；A表示6-氨基嘌呤-9-基或类似物）或其药学上可接受的盐等。
• Compositions and methods of modulating the immune response by activating alpha protein kinase 1
  申请人：Shanghai Yao Yuan Biotechnology Co., Ltd.

  公开号：US11149051B2

  公开（公告）日：2021-10-19

  The disclosure provides compositions and methods related to activating alpha-kinase 1 (ALPK1) for modulating an immune response and treating or preventing cancer, infection, inflammation and related diseases and disorders as well as potentiating an immune response to a target antigen. The disclosure also provides heterocyclic compounds of formula (I) as agonists of alpha protein kinase 1 (ALPK1) and their use in activating ALPK1, modulating an immune response and treating diseases such as cancer, wherein A1, A2, L1, L2, L3, Z1, Z2, W1, W2, R1, R2, R3, R4, R5, R6 and R7 are defined herein.

  本公开提供了与激活α蛋白激酶1（ALPK1）有关的组合物和方法，用于调节免疫反应和治疗或预防癌症、感染、炎症及相关疾病和失调，以及增强对靶抗原的免疫反应。本公开还提供了作为α蛋白激酶1（ALPK1）激动剂的式(I)杂环化合物及其在激活ALPK1、调节免疫应答和治疗癌症等疾病中的用途，其中A1、A2、L1、L2、L3、Z1、Z2、W1、W2、R1、R2、R3、R4、R5、R6和R7在本文中定义。
• COMPOSITIONS AND METHODS OF MODULATING THE IMMUNE RESPONSE BY ACTIVATING ALPHA PROTEIN KINASE 1
  申请人：Shanghai Yao Yuan Biotechnology Co., Ltd.

  公开号：US20200283468A1

  公开（公告）日：2020-09-10

  The disclosure provides compositions and methods related to activating alpha-kinase 1 (ALPK1) for modulating an immune response and treating or preventing cancer, infection, inflammation and related diseases and disorders as well as potentiating an immune response to a target antigen. The disclosure also provides heterocyclic compounds of formula (I) as agonists of alpha protein kinase 1 (ALPK1) and their use in activating ALPK1, modulating an immune response and treating diseases such as cancer, wherein A 1 , A 2 , L 1 , L 2 , L 3 , Z 1 , Z 2 , W 1 , W 2 , R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are defined herein.