O75MG3V0ZZ | 872534-76-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: O75MG3V0ZZ
• 英文别名: (2S,3R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidin-3-ol
• CAS: 872534-76-4
• 化学式: C₁₁H₁₅N₅O₂
• 分子量: 249.27
• InChiKey: OBIXMCRFEXZXER-ARDNSNSESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  120
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• AZA nucleosides, preparation thereof and use as inhibitors of RNA viral polymerases
  申请人：Babu S. Yarlagadda

  公开号：US20070099942A1

  公开（公告）日：2007-05-03

  Compounds represented by the formula: , and pharmaceutically acceptable salts thereof and prodrugs thereof; wherein R 1 is H, CH 3 , C 2 H 5 , C 3 H 7 R 2 is H, CH 3 , C 2 H 5 , C 3 H 7 , CH═CH 2 , CH 2 —OH, CH 2 F, CF 3 R′ 2 is H, OH, NH 2 , NH-alkyl, F, N 3 , OCH 3 , O—C(O)CH(NH 2 )alkyl R 3 is H, CH 3 , C 2 H 5 , C 3 H 7 R′ 3 is H, OH, NH 2 , NH-alkyl, F, N 3 , OCH 3 , O—C(O)CH(NH 2 )alkyl R 4 is H, CH 3 , C 2 H 5 , C 3 H 7 At least one of R 2 , R 3 , or R 4 has to be other than H, when X═NH in B R 6 is H, CH 3 , C 2 H 5 , R 7 is selected from H, alkyl, alkenyl, aryl, acyloxyalkyl, and pivaloyloxyalkyl, aminoacids, CH 2 CH 2 SC(O)alkyl; and B is represented by the following structure: X is independently NR 6 , O, S, R 8 and R 9 independently is H, NH 2 , OH, SH, F, Cl, Br, I, aryl, heterocycle, alkyl, alkene, alkyne, S-alkyl, S-aryl, S(O)-alkyl, SO 2 -alkyl, SO 2 NH 2 , SO 2 NH-alkyl, SO 2 NH-aryl, NH-alkyl, NH-aryl, N(alkyl) 2 , N(aryl) 2 , O-alkyl, O-aryl, O-heterocycle, NH-(CH 2 ) n -aryl, NH—C(O)-alkyl, NH—C(O)-aryl are useful for inhibiting viral RNA polymerases and treating patients suffering from diseases caused by various RNA viruses.

  该化合物的结构式为：其中R1为H，CH3，C2H5，C3H7；R2为H，CH3，C2H5，C3H7，CH═CH2，CH2—OH，CH2F，CF3；R′2为H，OH，NH2，NH-烷基，F，N3，OCH3，O—C（O）CH（NH2）烷基；R3为H，CH3，C2H5，C3H7；R′3为H，OH，NH2，NH-烷基，F，N3，OCH3，O—C（O）CH（NH2）烷基；R4为H，CH3，C2H5，C3H7。当X═NH时，R2、R3或R4中至少有一个不为H。BR6为H，CH3，C2H5；R7选择自H、烷基、烯烃基、芳香基、酰氧烷基和哌酰氧烷基、氨基酸、CH2CH2SC（O）烷基；B的结构式如下：其中X独立为NR6，O，S；R8和R9独立为H，NH2，OH，SH，F，Cl，Br，I，芳香基，杂环，烷基，烯烃基，炔基，S-烷基，S-芳香基，S（O）-烷基，SO2-烷基，SO2NH2，SO2NH-烷基，SO2NH-芳香基，NH-烷基，NH-芳香基，N（烷基）2，N（芳香基）2，O-烷基，O-芳香基，O-杂环，NH-（CH2）n-芳香基，NH—C（O）-烷基，NH—C（O）-芳香基。这些化合物可用于抑制病毒RNA聚合酶和治疗由各种RNA病毒引起的患者。此外，还包括这些化合物的药物可接受的盐和前药。
• ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES
  申请人：BIOCRYST PHARMACEUTICALS, INC.

  公开号：US20150291596A1

  公开（公告）日：2015-10-15

  Disclosed are compounds comprising an azasugar attached to a heterocyclic base, including pharmaceutically acceptable salts thereof, suitable for use in inhibiting viral RNA polymerase activity or viral replication, and treating viral infections. The compounds are characterized, in part, by favorable pharmacokinetics for the active pharmaceutical ingredient, particularly in conjunction with enteral administration, including, in particular, oral administration. Also disclosed are pharmaceutical compositions comprising one or more compounds mentioned above, or pharmaceutically acceptable salts thereof, as well as methods for preparing same. Also provided are methods for inhibiting viral RNA polymerase activity, viral replication, and treating viral infections.

  本发明涉及一种含有偶氮糖与杂环碱基结合的化合物，包括其药学上可接受的盐，适用于抑制病毒RNA聚合酶活性或病毒复制，并用于治疗病毒感染。该化合物的特点之一是具有良好的药代动力学，特别是在肠道给药的情况下，包括口服给药。本发明还涉及含有上述一种或多种化合物或其药学上可接受的盐的制药组合物，以及制备它们的方法。本发明还提供了抑制病毒RNA聚合酶活性、病毒复制和治疗病毒感染的方法。
• US7560434B2
  申请人：——

  公开号：US7560434B2

  公开（公告）日：2009-07-14
• [EN] ANTIVIRAL AZASUGAR-CONTAINING NUCLEOSIDES<br/>[FR] NUCLÉOSIDES ANTIVIRAUX CONTENANT DE L'AZASUCRE
  申请人：BIOCRYST PHARM INC

  公开号：WO2014078778A2

  公开（公告）日：2014-05-22

  Disclosed are compounds comprising an azasugar attached to a heterocyclic base, including pharmaceutically acceptable salts thereof, suitable for use in inhibiting viral RNA polymerase activity or viral replication, and treating viral infections. The compounds are characterized, in part, by favorable pharmacokinetics for the active pharmaceutical ingredient, particularly in conjunction with enteral administration, including, in particular, oral administration. Also disclosed are pharmaceutical compositions comprising one or more compounds mentioned above, or pharmaceutically acceptable salts thereof, as well as methods for preparing same. Also provided are methods for inhibiting viral RNA polymerase activity, viral replication, and treating viral infections.