9-isopropyl-3,9-dihydro-purine-2,6-dione | 7464-92-8

• 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: 9-isopropyl-3,9-dihydro-purine-2,6-dione
• 英文别名: 9-Isopropyl-3,9-dihydro-purin-2,6-dion；9-propan-2-yl-3H-purine-2,6-dione
• CAS: 7464-92-8
• 化学式: C₈H₁₀N₄O₂
• 分子量: 194.193
• InChiKey: NRUPICKXZJJQKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  9-isopropyl-8-thio-uric acid 在 盐酸 、 sodium nitrite 作用下， 生成 9-isopropyl-3,9-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Diuretics. III. 1,3-Dimethyl-9-alkyl- and 1,3,9-Trimethyl-8-alkylthioisoxanthines

  摘要：

  DOI：

  10.1021/ja01603a041

文献信息

• [EN] DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE<br/>[FR] DÉRIVÉS D'ADP-GLYCÉRO-MANNO-HEPTOSE ET LEUR UTILISATION DANS LA MODULATION D'UNE RÉPONSE IMMUNITAIRE
  申请人：SHANGHAI YAO YUAN BIOTECHNOLOGY CO LTD

  公开号：WO2020216327A1

  公开（公告）日：2020-10-29

  The disclosure provides compounds, 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 as defined herein.

  该披露提供了与激活α-激酶1（ALPK1）相关的化合物、组合物和方法，用于调节免疫反应，治疗或预防癌症、感染、炎症和相关疾病和紊乱，以及增强对靶抗原的免疫反应。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，以及它们在激活ALPK1、调节免疫反应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如本文所定义。
• Therapeutic Compounds Derived from Spider Venom and Their Method of Use
  申请人：Meinwald Jerrold

  公开号：US20080193452A1

  公开（公告）日：2008-08-14

  The present invention is directed to new therapeutic compounds isolated from spider venom and methods of using these new compounds. The compounds are sulfated nucleoside derivatives including ribonucleoside mono- and disulfates derived from guanine, adenosine, and cytidine. Some of these compounds are glycosylated or fucosylated bearing one or more sugar residues.

  本发明涉及从蜘蛛毒液中分离出的新的治疗化合物及使用这些新化合物的方法。这些化合物是硫酸化的核苷酸衍生物，包括从鸟嘌呤、腺嘌呤和胞嘧啶中衍生出的核苷酸单硫酸酯和双硫酸酯。其中一些化合物被糖基化或富糖基化，带有一个或多个糖残基。
• OLIGONUCLEOTIDES COMPRISING A MODIFIED OR NON-NATURAL NUCLEOBASE
  申请人：MANOHARAN Muthiah

  公开号：US20090281298A1

  公开（公告）日：2009-11-12

  One aspect of the present invention relates to a double-stranded oligonucleotide comprising at least one non-natural nucleobase. In certain embodiments, the non-natural nucleobase is difluorotolyl, nitroindolyl, nitropyrrolyl, or nitroimidazolyl. In a preferred embodiment, the non-natural nucleobase is difluorotolyl. In certain embodiments, only one of the two oligonucleotide strands comprising the double-stranded oligonucleotide contains a non-natural nucleobase. In certain embodiments, both of the oligonucleotide strands comprising the double-stranded oligonucleotide independently contain a non-natural nucleobase. In certain embodiments, the oligonucleotide strands comprise at least one modified sugar moiety. Another aspect of the present invention relates to a single-stranded oligonucleotide comprising at least one non-natural nucleobase. In a preferred embodiment, the non-natural nucleobase is difluorotolyl. In certain embodiments, the ribose sugar moiety that occurs naturally in nucleosides is replaced with a hexose sugar, polycyclic heteroalkyl ring, or cyclohexenyl group. In certain embodiments, at least one phosphate linkage in the oligonucleotide has been replaced with a phosphorothioate linkage.

  本发明的一个方面涉及至少包含一种非天然核碱基的双链寡核苷酸。在某些实施例中，非天然核碱基是二氟基甲苯基、硝基吲哚基、硝基吡咯基或硝基咪唑基。在一个首选实施例中，非天然核碱基是二氟基甲苯基。在某些实施例中，仅有双链寡核苷酸中的两个寡核苷酸链中的一个包含非天然核碱基。在某些实施例中，包含双链寡核苷酸的两个寡核苷酸链独立地包含非天然核碱基。在某些实施例中，寡核苷酸链包括至少一个修饰的糖基团。本发明的另一个方面涉及至少包含一种非天然核碱基的单链寡核苷酸。在一个首选实施例中，非天然核碱基是二氟基甲苯基。在某些实施例中，核苷中天然存在的核苷糖被替换为六碳糖、多环杂基烷基环或环己烯基团。在某些实施例中，寡核苷酸中的至少一个磷酸酯连接被替换为磷酸硫酯连接。
• OLIGONUCLEOTIDES COMPRISING A NON-PHOSPHATE BACKBONE LINKAGE
  申请人：MANOHARAN MUTHIAH

  公开号：US20090281299A1

  公开（公告）日：2009-11-12

  One aspect of the present invention relates to a ribonucleoside substituted with a phosphonamidite group at the 3′-position. In certain embodiments, the phosphonamidite is an alkyl phosphonamidite. Another aspect of the present invention relates to a double-stranded oligonucleotide comprising at least one non-phosphate linkage. Representative non-phosphate linkages include phosphonate, hydroxylamine, hydroxylhydrazinyl, amide, and carbamate linkages. In certain embodiments, the non-phosphate linkage is a phosphonate linkage. In certain embodiments, a non-phosphate linkage occurs in only one strand. In certain embodiments, a non-phosphate linkage occurs in both strands. In certain embodiments, a ligand is bound to one of the oligonucleotide strands comprising the double-stranded oligonucleotide. In certain embodiments, a ligand is bound to both of the oligonucleotide strands comprising the double-stranded oligonucleotide. In certain embodiments, the oligonucleotide strands comprise at least one modified sugar moiety. Another aspect of the present invention relates to a single-stranded oligonucleotide comprising at least one non-phosphate linkage. Representative non-phosphate linkages include phosphonate, hydroxylamine, hydroxylhydrazinyl, amide, and carbamate linkages. In certain embodiments, the non-phosphate linkage is a phosphonate linkage. In certain embodiments, a ligand is bound to the oligonucleotide strand. In certain embodiments, the oligonucleotide comprises at least one modified sugar moiety.

  本发明的一个方面涉及到一种在3'-位点上用磷酰胺基取代的核糖核苷。在某些实施例中，磷酰胺基是一种烷基磷酰胺基。本发明的另一个方面涉及到至少含有一种非磷酸酯连接的双链寡核苷酸。代表性的非磷酸酯连接包括磷酸酯、羟胺、羟基肼、酰胺和氨基甲酸酯连接。在某些实施例中，非磷酸酯连接是磷酸酯连接。在某些实施例中，非磷酸酯连接仅出现在一个链上。在某些实施例中，非磷酸酯连接出现在两个链上。在某些实施例中，配体与包含双链寡核苷酸的寡核苷酸链的其中一个链结合。在某些实施例中，配体与包含双链寡核苷酸的寡核苷酸链的两个链都结合。在某些实施例中，寡核苷酸链包括至少一个修饰的糖基团。本发明的另一个方面涉及到至少含有一种非磷酸酯连接的单链寡核苷酸。代表性的非磷酸酯连接包括磷酸酯、羟胺、羟基肼、酰胺和氨基甲酸酯连接。在某些实施例中，非磷酸酯连接是磷酸酯连接。在某些实施例中，配体与寡核苷酸链结合。在某些实施例中，寡核苷酸包括至少一个修饰的糖基团。
• Oligonucleotides comprising a ligand tethered to a modified or non-natural nucleobase
  申请人：Manoharan Muthiah

  公开号：US20070054279A1

  公开（公告）日：2007-03-08

  One aspect of the present invention relates to a double-stranded oligonucleotide comprising at least one ligand tethered to an altered or non-natural nucleobase. In certain embodiments, the non-natural nucleobase is difluorotolyl, nitropyrrolyl, or nitroimidazolyl. In certain embodiments, the ligand is a steroid or aromatic compound. In certain embodiments, only one of the two oligonucleotide strands comprising the double-stranded oligonucleotide contains a ligand tethered to an altered or non-natural nucleobase. In certain embodiments, both of the oligonucleotide strands comprising the double-stranded oligonucleotide independently contain a ligand tethered to an altered or non-natural nucleobase. In certain embodiments, the oligonucleotide strands comprise at least one modified sugar moiety. Another aspect of the present invention relates to a single-stranded oligonucleotide comprising at least one ligand tethered to an altered or non-natural nucleobase. In certain embodiments, the non-natural nucleobase is difluorotolyl, nitropyrrolyl, or nitroimidazolyl. In certain embodiments, the ligand is a steroid or aromatic compound. In certain embodiments, the ribose sugar moiety that occurs naturally in nucleosides is replaced with a hexose sugar, polycyclic heteroalkyl ring, or cyclohexenyl group. In certain embodiments, at least one phosphate linkage in the oligonucleotide has been replaced with a phosphorothioate linkage.

  本发明的一个方面涉及一种双链寡核苷酸，其中至少一个配体被系在改变或非天然核碱基上。在某些实施例中，非天然核碱基是二氟基甲苯基、硝基吡咯基或硝基咪唑基。在某些实施例中，配体是类固醇或芳香化合物。在某些实施例中，只有双链寡核苷酸中的两个寡核苷酸链之一包含系在改变或非天然核碱基上的配体。在某些实施例中，双链寡核苷酸中的两个寡核苷酸链都独立地包含系在改变或非天然核碱基上的配体。在某些实施例中，寡核苷酸链包括至少一个修饰糖基。本发明的另一个方面涉及一种单链寡核苷酸，其中至少一个配体被系在改变或非天然核碱基上。在某些实施例中，非天然核碱基是二氟基甲苯基、硝基吡咯基或硝基咪唑基。在某些实施例中，配体是类固醇或芳香化合物。在某些实施例中，核苷酸中自然存在的核苷糖被替换为六糖、多环杂基烷基环或环己烯基团。在某些实施例中，寡核苷酸中至少一个磷酸酯键被磷酸硫酯键所替代。