[5-(6-Aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate

• 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: [5-(6-Aminopurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
• 化学式: C₁₀H₁₄N₅O₅P
• 分子量: 315.22
• InChiKey: PUSXDQXVJDGIBK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS LIGANDS PEPTIDIQUES BICYCLIQUES ET LEURS UTILISATIONS
  申请人：BICYCLERD LTD

  公开号：WO2019034866A1

  公开（公告）日：2019-02-21

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• [EN] BICYCLIC PEPTIDE LIGAND STING CONJUGATES AND USES THEREOF<br/>[FR] CONJUGUÉS PEPTIDE-LIGAND BICYCLIQUE ET LEURS UTILISATIONS
  申请人：BICYCLETX LTD

  公开号：WO2020165600A1

  公开（公告）日：2020-08-20

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用方法。
• 3'3' CYCLIC DINUCLEOTIDES WITH AN ALKENYLENE
  申请人：Institute of Organic Chemistry and Biochemistry ASCR, V.V.I.

  公开号：EP3936514A1

  公开（公告）日：2022-01-12

  The present disclosure relates to 3'3' cyclic phosphonate dinucleotides of general formula (J), their pharmaceutically acceptable salts, their pharmaceutical composition and combinations of said substances and other medicaments or pharmaceuticals. The disclosure also relates to the use of said compounds for the treatment or prevention of diseases or conditions modifiable by STING protein modulation, such as cancer or viral, allergic and inflammatory diseases. In addition, these substances can be used as adjuvants in vaccines.

  本公开涉及一般式（J）的3'3'环磷酸二核苷酸，其药用盐，其药物组合物以及所述物质与其他药物或药品的组合物。该公开还涉及利用所述化合物治疗或预防可通过STING蛋白调节改变的疾病或症状，如癌症或病毒性、过敏性和炎症性疾病。此外，这些物质可用作疫苗的辅助剂。
• CYCLIC DINUCLEOTIDES FOR CYTOKINE INDUCTION
  申请人：Invivogen

  公开号：EP3505527A1

  公开（公告）日：2019-07-03

  The present invention concerns compounds of Formula (I) or Formula (II). wherein X2 is H or F; Z1 and Z2 are independently O or S; R1 and R2 are independently H or an enzyme-labile group which, together with the oxygen atom or sulfur atom to which it is attached, provides OH or SH in vivo such as pivaloyloxymethyl or acyloxybenzyl group; A1 is O-R3 or NH-R3; A2 is O-R3' or NH-R3'; B1 is H, NH-R4 or an halogen such as F, Cl, Br, I; B2 is H, NH-R4' or an halogen such as F, Cl, Br, I; R3, R3', R4 and R4' are independently H or an enzyme-labile group which, together with the oxygen atom or sulfur atom to which it is attached, provides OH or NH2 in vivo such as pivaloyloxymethyl, or a pharmaceutically acceptable salt, stereoisomer, tautomer or solvate thereof, except a compound of Formula (I) wherein X2 = F, Z1 = Z2= O, R1 = R2= R3= H, A2 = OH and B2 = H. The invention also concerns pharmaceutical compositions comprising said cyclic dinucleotide, as well as their use in the treatment of a bacterial infection, a viral infection or a cancer.

  本发明涉及式（I）或式（II）化合物。 其中 X2 是 H 或 F；Z1 和 Z2 独立地是 O 或 S；R1 和 R2 独立地是 H 或与所连接的氧原子或硫原子一起在体内提供 OH 或 SH 的酶抑制基团，例如新戊酰氧基甲基或酰氧基苄基；A1 是 O-R3 或 NH-R3；A2 是 O-R3' 或 NH-R3'；B1是H、NH-R4或卤素，如F、Cl、Br、I； B2是H、NH-R4'或卤素，如F、Cl、Br、I； R3、R3'、R4和R4'独立地是H或与所连接的氧原子或硫原子一起在体内提供OH或NH2的酶抑制基，如新戊酰氧基甲基、 或其药学上可接受的盐、立体异构体、同分异构体或溶媒、 式（I）化合物除外，其中 X2 = F，Z1 = Z2= O，R1 = R2= R3= H，A2 = OH 和 B2 = H。 本发明还涉及包含上述环二核苷酸的药物组合物，以及它们在治疗细菌感染、病毒感染或癌症中的用途。
• CYCLIC [(2',5')P(3',5')P]-DINUCLEOTIDES FOR CYTOKINE INDUCTION
  申请人：Kayla Therapeutics

  公开号：EP3546473A1

  公开（公告）日：2019-10-02

  The invention concerns a cyclic dinucleotide compound of Formula (I): wherein X1 is H or F; X2 is H or F; at least one among X1 and X2 is a fluorine atom; Z is OH, OR1, SH or SR1, wherein: R1 is Na or NH4, or R1 is an enzyme-labile group which provides OH or SH in vivo such as pivaloyloxymethyl; B1 and B2 are bases chosen from Adenine, Hypoxanthine or Guanine, and B1 is a different base than B2 and a pharmaceutically acceptable salt thereof. The invention also concerns pharmaceutical compositions comprising said cyclic dinucleotide, as well as their use in the treatment of a bacterial infection, a viral infection or a cancer.

  本发明涉及一种式（I）的环状二核苷酸化合物： 其中 X1 是 H 或 F；X2 是 H 或 F；X1 和 X2 中至少有一个是氟原子；Z 是 OH、OR1、SH 或 SR1，其中：R1是Na或NH4，或R1是在体内提供OH或SH的酶抑制基团，如新戊酰氧基甲基；B1和B2是选自腺嘌呤、次黄嘌呤或鸟嘌呤的碱基，B1是与B2不同的碱基及其药学上可接受的盐。本发明还涉及包含上述环二核苷酸的药物组合物，以及它们在治疗细菌感染、病毒感染或癌症中的用途。