9-[4-(hydroxymethyl)benzyl]-2-(2-methoxyethoxy)-8-methoxyadenine | 930294-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-[4-(hydroxymethyl)benzyl]-2-(2-methoxyethoxy)-8-methoxyadenine
• 英文别名: [4-[[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-yl]methyl]phenyl]methanol
• CAS: 930294-02-3
• 化学式: C₁₇H₂₁N₅O₄
• 分子量: 359.385
• InChiKey: NNFKAUIAYFLMQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  118
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  9-[4-(hydroxymethyl)benzyl]-2-(2-methoxyethoxy)-8-methoxyadenine 在 manganese dioxide 作用下， 以 氯仿 为溶剂， 反应 2.0h， 以to give the subtitled compound (191 mg) as a yellow crystal的产率得到4-[6-amino-8-methoxy-2-(2-methoxyethoxy)purin-9-ylmethyl]benzaldehyde
  参考文献：
  名称：

  NOVEL ADENINE COMPOUND

  摘要：

  一种新型腺嘌呤类化合物，其化学式为（1）：其中A代表（未）取代芳香族碳环或（未）取代芳香族杂环；L1，L2和L3分别独立地代表线性或支链烷基等；R1代表（未）取代烷基，（未）取代芳基等；R2代表氢或（未）取代烷基；R3代表（未）取代烷基等，但R3可与L2或L3结合形成含氮饱和杂环；X代表氧等；或该化合物的药学上可接受的盐。该化合物和盐作为药物有用。

  公开号：

  US20090105212A1

文献信息

• ADENINE CONJUGATE COMPOUNDS AND THEIR USE AS VACCINE ADJUVANTS
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US20180282334A1

  公开（公告）日：2018-10-04

  The present specification relates to adenine conjugate compounds represented by the formula (1), wherein A, L 1 , L 2 , X 1 , R 1 , R 2 , R 3 , and m are as defined herein, or their pharmaceutically acceptable salts. Compounds of formula (1) have immunostimulating properties and may therefore be useful in therapy, for example as vaccine adjuvants. The present specification also relates to a process for preparing adenine conjugate compounds and pharmaceutically acceptable salts thereof, and to pharmaceutical compositions comprising adenine conjugate compounds and their pharmaceutically acceptable salts.

  本规范涉及由式（1）表示的腺嘌呤共轭化合物，其中A、L1、L2、X1、R1、R2、R3和m如本文所定义，或其药用盐。式（1）的化合物具有免疫刺激性质，因此可能在治疗中有用，例如作为疫苗佐剂。本规范还涉及制备腺嘌呤共轭化合物及其药用盐的方法，以及包含腺嘌呤共轭化合物及其药用盐的药物组合物。
• Novel Adenine Compound
  申请人：Hashimoto Kazuki

  公开号：US20090118263A1

  公开（公告）日：2009-05-07

  An adenine compound represented by the formula (1): (1) [wherein A 1 and A 2 each independently represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 , L 2 , and L 3 each independently represents alkylene or a single bond, provided that any methylene or methine group in L 2 or L 3 may be bonded to the nitrogen atom adjacent to L 2 and L 3 to form a 4- to 7-membered saturated nitrogenous heterocycle; L 4 represents alkylene or a single bond; R 1 represents (un)substituted alkyl, (un)substituted aryl, etc.; R 2 represents hydrogen or (un)substituted alkyl; R 3 represents (un)substituted alkyl, etc.; and X represents oxygen, etc.] or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种腺嘌呤化合物，由式（1）表示：（1）[其中A1和A2分别独立地表示（非）取代芳香族碳环或（非）取代芳香族杂环；L1、L2和L3分别独立地表示烷基或单键，但L2或L3中的任何亚甲基或亚胺基可能与L2和L3相邻的氮原子结合形成4-至7元饱和的氮杂环；L4表示烷基或单键；R1表示（非）取代烷基、（非）取代芳基等；R2表示氢或（非）取代烷基；R3表示（非）取代烷基等；X表示氧等]或该化合物的药物可接受的盐。该化合物和盐可用作药物。
• Adenine conjugate compounds and their use as vaccine adjuvants
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10597397B2

  公开（公告）日：2020-03-24

  The present specification relates to adenine conjugate compounds represented by the formula (1), wherein A, L1, L2, X1, R1, R2, R3, and m are as defined herein, or their pharmaceutically acceptable salts. Compounds of formula (1) have immunostimulating properties and may therefore be useful in therapy, for example as vaccine adjuvants. The present specification also relates to a process for preparing adenine conjugate compounds and pharmaceutically acceptable salts thereof, and to pharmaceutical compositions comprising adenine conjugate compounds and their pharmaceutically acceptable salts.

  本说明书涉及由式（1）表示的腺嘌呤共轭化合物，其中 A、L1、L2、X1、R1、R2、R3 和 m 如本文所定义，或它们的药学上可接受的盐类。式（1）化合物具有免疫刺激特性，因此可用于治疗，例如用作疫苗佐剂。本说明书还涉及制备腺嘌呤共轭化合物及其药学上可接受的盐的工艺，以及包含腺嘌呤共轭化合物及其药学上可接受的盐的药物组合物。
• EP1939201
  申请人：——

  公开号：——

  公开（公告）日：——
• NOVEL ADENINE COMPOUND
  申请人：Isobe Yoshiaki

  公开号：US20090105212A1

  公开（公告）日：2009-04-23

  A novel adenine compound represented by the formula (1): wherein A represents an (un)substituted aromatic carbocycle or (un)substituted aromatic heterocycle; L 1 , L 2 , and L 3 each independently represents linear or branched alkylene, etc.; R 1 represents (un)substituted alkyl, (un)substituted aryl, etc.; R 2 represents hydrogen or (un) substituted alkyl; R 3 represents (un)substituted alkyl, etc., provided that R 3 may be bonded to L 2 or L 3 to form a nitrogenous saturated heterocycle; and X represents oxygen, etc.; or a pharmaceutically acceptable salt of the compound. The compound and salt are useful as a medicine.

  一种新型腺嘌呤类化合物，其化学式为（1）：其中A代表（未）取代芳香族碳环或（未）取代芳香族杂环；L1，L2和L3分别独立地代表线性或支链烷基等；R1代表（未）取代烷基，（未）取代芳基等；R2代表氢或（未）取代烷基；R3代表（未）取代烷基等，但R3可与L2或L3结合形成含氮饱和杂环；X代表氧等；或该化合物的药学上可接受的盐。该化合物和盐作为药物有用。