tert-butyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘧啶核苷
• 英文名称: tert-butyl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl carbonate
• 化学式: C₁₅H₂₂N₂O₇
• 分子量: 342.34
• InChiKey: UGPGTAFYBPCIRV-HBNTYKKESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] COMPOUNDS COMPOSITIONS AND METHODS INCLUDING THERMALLY LABILE MOIETIES<br/>[FR] COMPOSÉS, COMPOSITIONS ET PROCÉDÉS COMPRENANT DES FRAGMENTS THERMIQUEMENT LABILES
  申请人：BIOSEARCH TECHNOLOGIES INC

  公开号：WO2015167620A1

  公开（公告）日：2015-11-05

  The present invention generally relates to compounds that include one or more thermally labile protecting groups, compositions including the compounds, methods of making the compounds and compositions and methods of using the compounds and compositions. In one aspect, the present invention is directed to a compound of the structure XO-CH2-SM-B-A. The substituent X is H, an acid labile protecting group, a solid support, -P(O-R1)NR2R3, - P(O)(OH)H, -P(O)(OR1)H, -P(O)(OH)2, -P(O)(OH)O-P(0)(OH)OP(O)(OH)2 or salts thereof. The substituent R1 is CNE (i.e., cyanoethyl), alkyl, or heteroalkyl and R2 and R3 are independently alkyl. The substituent SM is a sugar moiety or analogue thereof that is not a natural furanosyl, B is a base moiety or analogue thereof, and A is a moiety attached to a nitrogen on or in the base moiety of the structure -C(O)OR4, wherein R4 is tertiary alkyl.

  本发明通常涉及包括一个或多个热敏稳定保护基团的化合物，包括这些化合物的组合物，制备这些化合物和组合物的方法，以及使用这些化合物和组合物的方法。在一个方面，本发明涉及具有结构XO-CH2-SM-B-A的化合物。取代基X是H，酸敏稳定保护基团，固体支持，-P(O-R1)NR2R3，- P(O)(OH)H，-P(O)(OR1)H，-P(O)(OH)2，-P(O)(OH)O-P(0)(OH)OP(O)(OH)2或其盐。取代基R1是CNE（即氰基乙基），烷基或杂环烷基，R2和R3是独立的烷基。取代基SM是一种糖基或其类似物，不是天然的呋喃糖基，B是一种碱基或其类似物，A是连接到结构-C(O)OR4上的氮上的或内部的基团，其中R4是三级烷基。
• COMPOUNDS COMPOSITIONS AND METHODS INCLUDING THERMALLY LABILE MOIETIES
  申请人：Biosearch Technologies, Inc.

  公开号：EP3137477A1

  公开（公告）日：2017-03-08