2-((1-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propan-2-yl)oxy)-2-phosphonoacetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-((1-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propan-2-yl)oxy)-2-phosphonoacetic acid
• 英文别名: 2-[1-(5-Methyl-2,4-dioxopyrimidin-1-yl)propan-2-yloxy]-2-phosphonoacetic acid；2-[1-(5-methyl-2,4-dioxopyrimidin-1-yl)propan-2-yloxy]-2-phosphonoacetic acid
• 化学式: C₁₀H₁₅N₂O₈P
• 分子量: 322.211
• InChiKey: PLQMGYFRIUIOFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.2
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  154
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• [EN] PHOSPHONATE NUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISEASES<br/>[FR] NUCLÉOSIDES PHOSPHONATES UTILES DANS LE TRAITEMENT DE MALADIES VIRALES
  申请人：UNIV CORK

  公开号：WO2015177351A1

  公开（公告）日：2015-11-26

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or prodrug thereof, and their use in medicine particular as anti-viral agents; wherein: Base is a natural or non-natural nucleobase, and the other substituents are as defined in the claims.

  本发明涉及一种式(I)的化合物，或其在药学上可接受的盐或前药，以及它们在医学上特别作为抗病毒剂的用途；其中：基团是天然或非天然的核碱基，其他取代基如权利要求中所定义。
• Phosphonate nucleosides useful in the treatment of viral diseases
  申请人：University College Cork

  公开号：US10167302B2

  公开（公告）日：2019-01-01

  The present invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or prodrug thereof, and their use in medicine particular as anti-viral agents; wherein: X is selected from O and NR11; Y is selected from O, S and NR12; A is selected from —(CR1R2)n-, —(CR9R10)—, —(CR9R10)—(CR1R2)n-, —(CR1R3)—(CR2R4)—(CR1R2)n-, —CR3═CR4—(CR1R2)n- and —C≡C—(CR1R2)n-; R1 and R2 are independently selected from H, alkyl, hydroxyl, hydroxymethyl and halogen; R3 and R4 are independently selected from H and alkyl, or R3 and R4 together with the carbon atoms to which they are attached form a mono or bicyclic ring system selected from cycloalkyl, cycloalkenyl, heterocycloalkyl, heterocycloalkenyl, aryl and heteroaryl; R5 is selected from H, P(═O)(OH)2 and P(═O)(OH)—O—P(═O)(OH)2; R6 is selected from H and alkyl; R7 and R8 are independently selected from H, alkyl, halogen and hydroxymethyl R9 and R19 together with the carbon atoms to which they are attached form a mono or bicyclic ring system selected from cycloalkyl, cycloalkenyl, heterocycloalkyl and heterocycloalkenyl; R11 is selected from H and alkyl; R12 is selected from H and alkyl; m is 0, 1, 2 or 3; n is 1, 2 or 3; p is 0 or 1; q is 0, 1, 2 or 3; r is 0, 1, 2, 3, 4 or 5; s is 0 or 1; Base is a natural or non-natural nucleobase, and wherein each alkyl, cycloalkyl, cycloalkenyl, heterocycloalkyl, heterocycloalkenyl, aryl and heteroaryl may be optionally substituted as described herein.

  本发明涉及式（I）化合物或其药学上可接受的盐或原药，以及它们在医药中的用途，特别是作为抗病毒剂； 其中 X 选自 O 和 NR11； Y 选自 O、S 和 NR12； A 选自-(CR1R2)n-、-(CR9R10)-、-(CR9R10)-(CR1R2)n-、-(CR1R3)-(CR2R4)-(CR1R2)n-、-CR3═CR4-(CR1R2)n-和-C≡C-(CR1R2)n-； R1 和 R2 独立选自 H、烷基、羟基、羟甲基和卤素； R3 和 R4 独立选自 H 和烷基，或 R3 和 R4 与它们所连接的碳原子一起形成选自环烷基、环烯基、杂环烷基、杂环烯基、芳基和杂芳基的单环或双环系统； R5 选自 H、P(═O)(OH)2 和 P(═O)(OH)-O-P(═O)(OH)2； R6 选自 H 和烷基； R7 和 R8 独立地选自 H、烷基、卤素和羟甲基 R9 和 R19 与它们所连接的碳原子一起形成一个单环或双环系统，该系统选自环烷基、环烯基、杂环烷基和杂环烯基； R11 选自 H 和烷基； R12 选自 H 和烷基； m 是 0、1、2 或 3； n是1、2或3 p 是 0 或 1 q 是 0、1、2 或 3； r 是 0、1、2、3、4 或 5； s 是 0 或 1； 碱基是天然或非天然核碱基，以及 其中每个烷基、环烷基、环烯基、杂环烷基、杂环烯基、芳基和杂芳基可以如本文所述被任选取代。
• PHOSPHONATE NUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISEASES
  申请人：University College Cork

  公开号：EP3145939A1

  公开（公告）日：2017-03-29