9-(4-C-ethynyl-β-D-arabino-pentofuranosyl)guanine | 1100803-45-9

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 9-(4-C-ethynyl-β-D-arabino-pentofuranosyl)guanine
• 英文别名: 2-amino-9-[(2R,3S,4S,5R)-5-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• CAS: 1100803-45-9
• 化学式: C₁₂H₁₃N₅O₅
• 分子量: 307.266
• InChiKey: ZEFNGPRHMTZOFU-OWUXOQJYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  155
• 氢给体数：
  5
• 氢受体数：
  7

文献信息

• [EN] 4'-C-ETHYNYL PURINE NUCLEOSIDES<br/>[FR] NUCLEOSIDES DE PURINE 4'-C-ETHYNYLE
  申请人：YAMASA CORP

  公开号：WO2000069877A1

  公开（公告）日：2000-11-23

  The invention provides 4'-C-ethynyl purine nucleosides represented by formula (I), wherein B represents a base selected from the group consisting of purine and derivatives thereof; X represents a hydrogen atom or a hydroxyl group; and R represents a hydrogen atom or a phosphate residue; and a pharmaceutical composition containing any one of the compounds and a pharmaceutically acceptable carrier. Preferably, the composition is used as an anti-HIV agent or a drug for treating AIDS.

  该发明提供了由式(I)表示的4'-C-乙炔基嘌呤核苷，其中B代表从嘌呤及其衍生物组成的群体中选择的碱基；X代表氢原子或羟基；而R代表氢原子或磷酸盐残基；以及含有任何一种化合物和药学上可接受的载体的制药组合物。最好，该组合物用作抗HIV剂或治疗艾滋病的药物。
• 4'-C-ethynyl pyrimidine nucleoside compounds
  申请人：——

  公开号：US20020022722A1

  公开（公告）日：2002-02-21

  The invention provides 4′-C-ethynyl pyrimidine nucleosides (other than 4′-C-ethynylthymidine) represented by formula [I]: 1 wherein B represents a base selected from the group consisting of pyrimidine and derivatives thereof; X represents a hydrogen atom or a hydroxyl group; and R represents a hydrogen atom or a phosphate residue; and a pharmaceutical composition containing any one of the compounds and a pharmaceutically acceptable carrier. Preferably, the composition is used as an anti-HIV agent or a drug for treating AIDS.

  本发明提供了4'-C-乙炔基嘧啶核苷（不包括4'-C-乙炔基胸腺嘧啶）的化合物，其化学式为[I]：其中B代表从嘧啶和其衍生物中选择的碱基；X代表氢原子或羟基；R代表氢原子或磷酸残基；以及含有上述任一化合物和药学上可接受的载体的制药组合物。优选地，该组合物用作抗HIV剂或治疗艾滋病的药物。
• 4'-C-ETHYNYL PYRIMIDINE NUCLEOSIDES
  申请人：YAMASA CORPORATION

  公开号：EP1177201A1

  公开（公告）日：2002-02-06
• 4'-C-ETHYNYL PURINE NUCLEOSIDES
  申请人：YAMASA CORPORATION

  公开号：EP1177202A1

  公开（公告）日：2002-02-06
• US6291670B1
  申请人：——

  公开号：US6291670B1

  公开（公告）日：2001-09-18