6-amino-2-(butyloxy)-9-{[1-(2-hydroxyethyl)-4-piperidinyl]methyl}-7,9-dihydro-8H-purin-8-one | 1264370-20-8

• 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: 6-amino-2-(butyloxy)-9-{[1-(2-hydroxyethyl)-4-piperidinyl]methyl}-7,9-dihydro-8H-purin-8-one
• 英文别名: 6-amino-2-butoxy-9-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-7H-purin-8-one
• CAS: 1264370-20-8
• 化学式: C₁₇H₂₈N₆O₃
• 分子量: 364.448
• InChiKey: YKTYLYAYZPFQNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  117
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-butoxy-8-methoxy-9-(piperidin-4-ylmethyl)adenine 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 6-amino-2-(butyloxy)-9-{[1-(2-hydroxyethyl)-4-piperidinyl]methyl}-7,9-dihydro-8H-purin-8-one
  参考文献：
  名称：

  [EN] PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES
  [FR] DÉRIVÉS DE PURINE ET LEURS UTILISATIONS PHARMACEUTIQUES

  摘要：

  公式（I）的化合物，其中：R1代表氢或C1-3烷基；n是一个取值为1至5的整数；X代表O或NH；Y代表C或N；或其药学上可接受的盐，已被证明是人类干扰素的诱导剂，可能具有改善的特性，例如增强的效力。因此，本发明的化合物可能在治疗各种疾病中有用，特别是在治疗传染病、癌症、过敏性疾病和其他炎症性疾病方面，并且它们可用作疫苗佐剂。

  公开号：

  WO2011098451A1

文献信息

• [EN] PHOSPHOLIPIDATION OF IMIDAZOQUINOLINES AND OXOADENINES<br/>[FR] PHOSPHOLIPIDATION D'IMIDAZOQUINOLINES ET D'OXOADÉNINES
  申请人：GLAXOSMITHKLINE BIOLOGICALS SA

  公开号：WO2017102654A1

  公开（公告）日：2017-06-22

  The present invention relates to a process for phospholipidation of imidazoquinolines and oxoadenines. More particularly, the present invention relates to a high-yielding and scalable procedure for the phospholipidation of imidazoquinolines and oxoadenines which obviates the need to isolate unstable phosphoramidite intermediates. This process may be used for the phospholipidation of toll-like receptor 7 (TLR7) - active and toll-like receptor (TLR8) -active imidazoquinolines and oxoadenines.

  本发明涉及一种对咪唑喹啉和氧代腺嘌呤进行磷脂化的方法。更具体地说，本发明涉及一种高产率和可扩展的咪唑喹啉和氧代腺嘌呤磷脂化过程，避免了需要分离不稳定的磷酸酰胺中间体的需要。该过程可用于对Toll样受体7（TLR7）活性和Toll样受体8（TLR8）活性的咪唑喹啉和氧代腺嘌呤进行磷脂化。
• PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES
  申请人：Bazin-Lee Helene

  公开号：US20120315291A1

  公开（公告）日：2012-12-13

  The present invention relates to compounds of formula (I): wherein; R 1 represents hydrogen or C 1-3 alkyl; n is an integer having a value of 1 to 5; X represents O or NH; Y represents C or N; or a pharmaceutically acceptable salt thereof, have been shown to be inducers of human interferon and may possess an improved profile with respect to known inducers of human interferon, for example enhanced potency. The compounds of the invention may therefore be useful in the treatment of various disorders, in particular the treatment of infectious diseases, cancer, allergic diseases and other inflammatory conditions, and their use as vaccine adjuvants.

  本发明涉及化合物的公式（I）：其中；R1代表氢或C1-3烷基；n是一个整数，其值为1到5；X代表O或NH；Y代表C或N；或其药学上可接受的盐，已被证明是人干扰素的诱导剂，可能具有改善已知人干扰素诱导剂的特性，例如增强效力。因此，本发明的化合物可能在治疗各种疾病，特别是感染性疾病，癌症，过敏疾病和其他炎症状况方面有用，并可用作疫苗佐剂。
• Purine derivatives and their pharmaceutical uses
  申请人：Bazin-Lee Helene

  公开号：US08575340B2

  公开（公告）日：2013-11-05

  The present invention relates to compounds of formula (I): wherein; R1 represents hydrogen or C1-3alkyl; n is an integer having a value of 1 to 5; X represents O or NH; Y represents C or N; or a pharmaceutically acceptable salt thereof, have been shown to be inducers of human interferon and may possess an improved profile with respect to known inducers of human interferon, for example enhanced potency. The compounds of the invention may therefore be useful in the treatment of various disorders, in particular the treatment of infectious diseases, cancer, allergic diseases and other inflammatory conditions, and their use as vaccine adjuvants.

  本发明涉及式(I)的化合物：其中；R1代表氢或C1-3烷基；n是一个整数，取值为1至5；X代表O或NH；Y代表C或N；或其药学上可接受的盐，已被证明是人干扰素的诱导剂，可能具有相对于已知的人干扰素诱导剂，例如增强的效力，因此该发明的化合物可能在治疗各种疾病中有用，特别是在治疗传染病、癌症、过敏性疾病和其他炎症性疾病以及它们用作疫苗佐剂方面。
• LIPIDATED OXOADENINE DERIVATIVES
  申请人：GlaxoSmithKline Biologicals S.A.

  公开号：EP3199159A1

  公开（公告）日：2017-08-02

  Novel lipidated oxoadenines comprising a nitrogen heterocyclyl-substituted oxoadenine molecule covalently linked to a phospho- or phosphonolipid are shown to be inducers of interferon-a and other immunostimulatory cytokines. The compounds are useful as immunostimulators and adjuvants.

  新型脂质化氧杂腺嘌呤包括一个与磷脂或磷脂共价连接的氮杂环取代氧杂腺嘌呤分子，已被证明是干扰素-a 和其他免疫刺激细胞因子的诱导剂。这些化合物可用作免疫刺激剂和佐剂。
• US8575340B2
  申请人：——

  公开号：US8575340B2

  公开（公告）日：2013-11-05